N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C21H20N2O2S — CID 86991055

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(-c3ccccc3)s2)C2CC2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-18-11-7-15(8-12-18)14-23(17-9-10-17)21(24)19-13-22-20(26-19)16-5-3-2-4-6-16/h2-8,11-13,17H,9-10,14H2,1H3
InChIKeyBNAWWSBFESHWSE-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.62
Rot. Bonds6

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

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 86991055) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID86991055
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cnc(-c3ccccc3)s2)C2CC2)cc1
InChIInChI=1S/C21H20N2O2S/c1-25-18-11-7-15(8-12-18)14-23(17-9-10-17)21(24)19-13-22-20(26-19)16-5-3-2-4-6-16/h2-8,11-13,17H,9-10,14H2,1H3
InChIKeyBNAWWSBFESHWSE-UHFFFAOYSA-N
XLogP4.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119531891
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119209553
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
N-cyclopropyl-2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 24623082
benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596354
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355418
N-benzyl-N-cyclopropyl-6-methoxyquinoline-2-carboxamide
CID 38283237
CID 158001068
CID 158001068
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 86991055) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(CN(C(=O)c2cnc(-c3ccccc3)s2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is BNAWWSBFESHWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-18-11-7-15(8-12-18)14-23(17-9-10-17)21(24)19-13-22-20(26-19)16-5-3-2-4-6-16/h2-8,11-13,17H,9-10,14H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86991055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).