N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide

C19H18N2OS — CID 118716532

IUPACN-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1cccc(-c2cnc(C(=O)N(C)c3cccc(C)c3)s2)c1
InChIInChI=1S/C19H18N2OS/c1-13-6-4-8-15(10-13)17-12-20-18(23-17)19(22)21(3)16-9-5-7-14(2)11-16/h4-12H,1-3H3
InChIKeyGCSQBORILKREQY-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.70
Rot. Bonds3

About N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide

N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 118716532) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID118716532
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1cccc(-c2cnc(C(=O)N(C)c3cccc(C)c3)s2)c1
InChIInChI=1S/C19H18N2OS/c1-13-6-4-8-15(10-13)17-12-20-18(23-17)19(22)21(3)16-9-5-7-14(2)11-16/h4-12H,1-3H3
InChIKeyGCSQBORILKREQY-UHFFFAOYSA-N
XLogP4.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[3-(2-Methylphenyl)phenyl]-4-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]pyrrolidin-2-one
CID 122653949
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CID 164609187
1-[(3R,5S)-1-benzyl-3,5-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-2-(1,3-thiazol-5-yl)ethanone
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(E)-N-(2-aminophenyl)-3-[2-(3-methylphenyl)-1,3-thiazol-5-yl]prop-2-enamide
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2-Amino-1-[(S)-2-(5-ethyl-thiazol-2-yl)-2,3-dihydro-indol-1-yl]-ethanone
CID 44359002
trans-(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenylphenyl)cyclopropane-1-carboxamide
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US11613536, Example 2
CID 134282228
N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide (CID 118716532) is N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide is Cc1cccc(-c2cnc(C(=O)N(C)c3cccc(C)c3)s2)c1.
What is the InChIKey of N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GCSQBORILKREQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-6-4-8-15(10-13)17-12-20-18(23-17)19(22)21(3)16-9-5-7-14(2)11-16/h4-12H,1-3H3.
What are the key properties of N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide?
N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118716532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).