N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

C20H18ClN3OS — CID 53033159

IUPACN-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)c(Cl)c1
InChIInChI=1S/C20H18ClN3OS/c1-13-7-8-16(15(21)11-13)23-20(25)24-10-9-17-18(12-24)26-19(22-17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyKPMCBJYOZBBIQC-UHFFFAOYSA-N
MW383.90 g/mol
LogP5.36
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide

N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (PubChem CID 53033159) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
PubChem CID53033159
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC NameN-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)c(Cl)c1
InChIInChI=1S/C20H18ClN3OS/c1-13-7-8-16(15(21)11-13)23-20(25)24-10-9-17-18(12-24)26-19(22-17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,25)
InChIKeyKPMCBJYOZBBIQC-UHFFFAOYSA-N
XLogP5.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 46297458
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060376
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033124
2-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117
2-(4-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060365
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
N-(2-chlorophenyl)-4-(4-methylphenyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080024
N-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033115
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(4-bromophenyl)-2-(3,4-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060396
2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098344
tert-butyl 2-(3-chlorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 168510058

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide (CID 53033159) is N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is Cc1ccc(NC(=O)N2CCc3nc(-c4ccccc4)sc3C2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
The InChIKey is KPMCBJYOZBBIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c1-13-7-8-16(15(21)11-13)23-20(25)24-10-9-17-18(12-24)26-19(22-17)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide?
N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide has a molecular weight of 383.90 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide is sourced from PubChem (CID 53033159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).