(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol

C18H26N4OS — CID 99931995

IUPAC(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C18H26N4OS/c1-21-11-8-19-18(21)17(23)13-6-9-22(10-7-13)12-16-20-14-4-2-3-5-15(14)24-16/h8,11,13,17,23H,2-7,9-10,12H2,1H3/t17-/m1/s1
InChIKeyDYTGFORZQBRFSN-QGZVFWFLSA-N
MW346.50 g/mol
LogP2.70
Rot. Bonds4

About (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol

(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 99931995) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID99931995
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C18H26N4OS/c1-21-11-8-19-18(21)17(23)13-6-9-22(10-7-13)12-16-20-14-4-2-3-5-15(14)24-16/h8,11,13,17,23H,2-7,9-10,12H2,1H3/t17-/m1/s1
InChIKeyDYTGFORZQBRFSN-QGZVFWFLSA-N
XLogP2.70
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol with MolForge

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Related Compounds

(S)-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97092049
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
(R)-[1-[(5-tert-butylthiophen-2-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 124516622
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 45236943
(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 45230799
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643
(S)-[1-[(2-cyclohexylpyrimidin-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 99946557
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 171909909
3-chloro-5-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]phenol
CID 136568437
6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 99928460

Frequently Asked Questions

What is the IUPAC name of (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol (CID 99931995) is (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol is Cn1ccnc1[C@H](O)C1CCN(Cc2nc3c(s2)CCCC3)CC1.
What is the InChIKey of (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is DYTGFORZQBRFSN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-21-11-8-19-18(21)17(23)13-6-9-22(10-7-13)12-16-20-14-4-2-3-5-15(14)24-16/h8,11,13,17,23H,2-7,9-10,12H2,1H3/t17-/m1/s1.
What are the key properties of (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol?
(R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 346.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1-methylimidazol-2-yl)-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 99931995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).