N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

C21H19ClN4O3S — CID 90525616

IUPACN-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1
InChIInChI=1S/C21H19ClN4O3S/c1-11-17(18(25-29-11)13-4-2-3-5-14(13)22)20(28)26-9-8-15-16(10-26)30-21(23-15)24-19(27)12-6-7-12/h2-5,12H,6-10H2,1H3,(H,23,24,27)
InChIKeyQMJNHAJVHCGJHB-UHFFFAOYSA-N
MW442.93 g/mol
LogP4.31
Rot. Bonds4

About N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 90525616) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID90525616
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC NameN-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1
InChIInChI=1S/C21H19ClN4O3S/c1-11-17(18(25-29-11)13-4-2-3-5-14(13)22)20(28)26-9-8-15-16(10-26)30-21(23-15)24-19(27)12-6-7-12/h2-5,12H,6-10H2,1H3,(H,23,24,27)
InChIKeyQMJNHAJVHCGJHB-UHFFFAOYSA-N
XLogP4.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
N-[5-(4-chlorobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531120
N-[5-(4-phenoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525659
N-butyl-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-4-carboxamide
CID 78865229
N-[5-(pyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525644
N-[5-(4-pyrrol-1-ylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525443
N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525591
N-[5-[4-(trifluoromethyl)benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525564
N-[5-(5-bromofuran-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525613
N-[5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525454
N-[5-(1,3-benzothiazole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531213

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide (CID 90525616) is N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2nc(NC(=O)C3CC3)sc2C1.
What is the InChIKey of N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QMJNHAJVHCGJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-11-17(18(25-29-11)13-4-2-3-5-14(13)22)20(28)26-9-8-15-16(10-26)30-21(23-15)24-19(27)12-6-7-12/h2-5,12H,6-10H2,1H3,(H,23,24,27).
What are the key properties of N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 442.93 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 90525616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).