methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate

C21H29N5O5S — CID 87471895

IUPACmethyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate
SMILESCOC(=O)NC(C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1)C1CCNCC1
InChIInChI=1S/C21H29N5O5S/c1-29-15-4-3-14(26-9-11-31-12-10-26)18-17(15)23-20(32-18)25-19(27)16(24-21(28)30-2)13-5-7-22-8-6-13/h3-4,13,16,22H,5-12H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyHKOLGVFWKTVOML-UHFFFAOYSA-N
MW463.56 g/mol
LogP1.80
Rot. Bonds6

About methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate

methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate (PubChem CID 87471895) has the molecular formula C21H29N5O5S and a molecular weight of 463.56 g/mol. Its IUPAC name is methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate
PubChem CID87471895
Molecular FormulaC21H29N5O5S
Molecular Weight463.56 g/mol
Exact Mass463.19
IUPAC Namemethyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate
SMILESCOC(=O)NC(C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1)C1CCNCC1
InChIInChI=1S/C21H29N5O5S/c1-29-15-4-3-14(26-9-11-31-12-10-26)18-17(15)23-20(32-18)25-19(27)16(24-21(28)30-2)13-5-7-22-8-6-13/h3-4,13,16,22H,5-12H2,1-2H3,(H,24,28)(H,23,25,27)
InChIKeyHKOLGVFWKTVOML-UHFFFAOYSA-N
XLogP1.80
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 22283227
4-(18F)fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 162675230
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 10172866
(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate
CID 11361800
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methyloctanamide
CID 142252388
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 11618368
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
iodo-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]methanol
CID 163815671
4-methoxy-7-morpholin-4-yl-N-pyridin-4-yl-1,3-benzothiazole-2-carboxamide
CID 21137064
1-[2-(dimethylamino)ethyl]-3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283206
[(1S,3R)-3-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl] acetate
CID 11561101

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate?
The IUPAC name of methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate (CID 87471895) is methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate?
The canonical SMILES for methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate is COC(=O)NC(C(=O)Nc1nc2c(OC)ccc(N3CCOCC3)c2s1)C1CCNCC1.
What is the InChIKey of methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate?
The InChIKey is HKOLGVFWKTVOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O5S/c1-29-15-4-3-14(26-9-11-31-12-10-26)18-17(15)23-20(32-18)25-19(27)16(24-21(28)30-2)13-5-7-22-8-6-13/h3-4,13,16,22H,5-12H2,1-2H3,(H,24,28)(H,23,25,27).
What are the key properties of methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate?
methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate has a molecular weight of 463.56 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate is sourced from PubChem (CID 87471895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).