(R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol

C84H104N24O8S4 — CID 158380900

IUPAC(R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol
SMILESC[C@](O)(c1nccs1)[C@H]1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1.Cc1csc([C@@H](O)[C@@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1csc([C@H](O)[C@@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1csc([C@H](O)[C@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1
InChIInChI=1S/4C21H26N6O2S/c1-21(28,20-22-6-12-30-20)15-3-2-7-27(14-15)19-17-5-4-16(13-18(17)23-25-24-19)26-8-10-29-11-9-26;3*1-14-13-30-21(22-14)19(28)15-3-2-6-27(12-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-6,12-13,15,28H,2-3,7-11,14H2,1H3;3*4-5,11,13,15,19,28H,2-3,6-10,12H2,1H3/t15-,21+;2*15-,19+;15-,19-/m0101/s1
InChIKeyGVTSQQHSAYUCEO-ZEYYJLTPSA-N
MW1706.18 g/mol
LogP10.17
Rot. Bonds16

About (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol

(R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol (PubChem CID 158380900) has the molecular formula C84H104N24O8S4 and a molecular weight of 1706.18 g/mol. Its IUPAC name is (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name(R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol
PubChem CID158380900
Molecular FormulaC84H104N24O8S4
Molecular Weight1706.18 g/mol
Exact Mass1704.74
IUPAC Name(R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol
SMILESC[C@](O)(c1nccs1)[C@H]1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1.Cc1csc([C@@H](O)[C@@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1csc([C@H](O)[C@@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1csc([C@H](O)[C@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1
InChIInChI=1S/4C21H26N6O2S/c1-21(28,20-22-6-12-30-20)15-3-2-7-27(14-15)19-17-5-4-16(13-18(17)23-25-24-19)26-8-10-29-11-9-26;3*1-14-13-30-21(22-14)19(28)15-3-2-6-27(12-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-6,12-13,15,28H,2-3,7-11,14H2,1H3;3*4-5,11,13,15,19,28H,2-3,6-10,12H2,1H3/t15-,21+;2*15-,19+;15-,19-/m0101/s1
InChIKeyGVTSQQHSAYUCEO-ZEYYJLTPSA-N
XLogP10.17
TPSA350.00 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds16
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.18
LogP ≤ 510.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Analyze (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol (CID 158380900) is (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol is C[C@](O)(c1nccs1)[C@H]1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1.Cc1csc([C@@H](O)[C@@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1csc([C@H](O)[C@@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1.Cc1csc([C@H](O)[C@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)n1.
What is the InChIKey of (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol?
The InChIKey is GVTSQQHSAYUCEO-ZEYYJLTPSA-N. The full InChI is InChI=1S/4C21H26N6O2S/c1-21(28,20-22-6-12-30-20)15-3-2-7-27(14-15)19-17-5-4-16(13-18(17)23-25-24-19)26-8-10-29-11-9-26;3*1-14-13-30-21(22-14)19(28)15-3-2-6-27(12-15)20-17-5-4-16(11-18(17)23-25-24-20)26-7-9-29-10-8-26/h4-6,12-13,15,28H,2-3,7-11,14H2,1H3;3*4-5,11,13,15,19,28H,2-3,6-10,12H2,1H3/t15-,21+;2*15-,19+;15-,19-/m0101/s1.
What are the key properties of (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol?
(R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol has a molecular weight of 1706.18 g/mol, XLogP of 10.17, 16 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methyl-1,3-thiazol-2-yl)-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(S)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(R)-(4-methyl-1,3-thiazol-2-yl)-[(3R)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]methanol;(1R)-1-[(3S)-1-(7-morpholin-4-yl-1,2,3-benzotriazin-4-yl)piperidin-3-yl]-1-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 158380900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).