N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C18H19N3O4S — CID 126470999

IUPACN-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCOc1ccc2c(c1)sc1ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C18H19N3O4S/c1-25-12-6-7-14-15(8-12)26-18-19-9-13(17(24)21(14)18)16(23)20-10-2-4-11(22)5-3-10/h6-11,22H,2-5H2,1H3,(H,20,23)
InChIKeyXDSXZHBVVOKVIV-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.95
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 126470999) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID126470999
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCOc1ccc2c(c1)sc1ncc(C(=O)NC3CCC(O)CC3)c(=O)n12
InChIInChI=1S/C18H19N3O4S/c1-25-12-6-7-14-15(8-12)26-18-19-9-13(17(24)21(14)18)16(23)20-10-2-4-11(22)5-3-10/h6-11,22H,2-5H2,1H3,(H,20,23)
InChIKeyXDSXZHBVVOKVIV-UHFFFAOYSA-N
XLogP1.95
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Methoxy-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-2-one
CID 712175
(Z)-N-cyclohexyl-2-((2-((6-methoxy-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl)thio)acetamide
CID 3241386
3-butyl-2-hydroxy-8-methoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135490257
N-(4-ethylbenzyl)-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011289
8-methoxy-N-(4-methoxybenzyl)-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011293
N~3~-(2-fluorobenzyl)-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011314
8-methoxy-N-(3-methylbenzyl)-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011283
N-(3-chlorobenzyl)-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011285
N-(4-isopropoxybenzyl)-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011287
N-(4-chlorobenzyl)-8-methoxy-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 16011291
8-methoxy-4-oxo-N-(2-phenylpropyl)-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 6625281
8-methoxy-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 126470263

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 126470999) is N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is COc1ccc2c(c1)sc1ncc(C(=O)NC3CCC(O)CC3)c(=O)n12.
What is the InChIKey of N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is XDSXZHBVVOKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-25-12-6-7-14-15(8-12)26-18-19-9-13(17(24)21(14)18)16(23)20-10-2-4-11(22)5-3-10/h6-11,22H,2-5H2,1H3,(H,20,23).
What are the key properties of N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-8-methoxy-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 126470999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).