N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide

C12H11ClN2OS — CID 84576591

IUPACN-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)cc2)ns1
InChIInChI=1S/C12H11ClN2OS/c1-8-6-11(15-17-8)12(16)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyCFINWWAHMQFLFP-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.03
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 84576591) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID84576591
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)cc2)ns1
InChIInChI=1S/C12H11ClN2OS/c1-8-6-11(15-17-8)12(16)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyCFINWWAHMQFLFP-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 126834628
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 154763227
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404
N-[(4-chlorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244745
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360009
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 84576591) is N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NCc2ccc(Cl)cc2)ns1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is CFINWWAHMQFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-8-6-11(15-17-8)12(16)14-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 84576591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).