4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide

C30H31ClN10O6S2 — CID 157321106

IUPAC4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(=O)CC3)nc12.COc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(Cl)c4)CC3)nc12
InChIInChI=1S/C18H18ClN5O3S.C12H13N5O3S/c1-27-14-13-15(21-10-20-14)28-16(22-13)23-17(25)24-7-5-18(26,6-8-24)11-3-2-4-12(19)9-11;1-20-9-8-10(14-6-13-9)21-11(15-8)16-12(19)17-4-2-7(18)3-5-17/h2-4,9-10,26H,5-8H2,1H3,(H,22,23,25);6H,2-5H2,1H3,(H,15,16,19)
InChIKeyBEEDMHIEIBFMOK-UHFFFAOYSA-N
MW727.23 g/mol
LogP4.56
Rot. Bonds5

About 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide

4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide (PubChem CID 157321106) has the molecular formula C30H31ClN10O6S2 and a molecular weight of 727.23 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide
PubChem CID157321106
Molecular FormulaC30H31ClN10O6S2
Molecular Weight727.23 g/mol
Exact Mass726.16
IUPAC Name4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(=O)CC3)nc12.COc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(Cl)c4)CC3)nc12
InChIInChI=1S/C18H18ClN5O3S.C12H13N5O3S/c1-27-14-13-15(21-10-20-14)28-16(22-13)23-17(25)24-7-5-18(26,6-8-24)11-3-2-4-12(19)9-11;1-20-9-8-10(14-6-13-9)21-11(15-8)16-12(19)17-4-2-7(18)3-5-17/h2-4,9-10,26H,5-8H2,1H3,(H,22,23,25);6H,2-5H2,1H3,(H,15,16,19)
InChIKeyBEEDMHIEIBFMOK-UHFFFAOYSA-N
XLogP4.56
TPSA197.78 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.23
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide (CID 157321106) is 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(=O)CC3)nc12.COc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(Cl)c4)CC3)nc12.
What is the InChIKey of 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
The InChIKey is BEEDMHIEIBFMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3S.C12H13N5O3S/c1-27-14-13-15(21-10-20-14)28-16(22-13)23-17(25)24-7-5-18(26,6-8-24)11-3-2-4-12(19)9-11;1-20-9-8-10(14-6-13-9)21-11(15-8)16-12(19)17-4-2-7(18)3-5-17/h2-4,9-10,26H,5-8H2,1H3,(H,22,23,25);6H,2-5H2,1H3,(H,15,16,19).
What are the key properties of 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide has a molecular weight of 727.23 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 157321106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).