N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide

C16H17N3O3S — CID 24737491

IUPACN-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(=O)NCc2nc(C(=O)NC3CC3)cs2)c1
InChIInChI=1S/C16H17N3O3S/c1-22-12-4-2-3-10(7-12)15(20)17-8-14-19-13(9-23-14)16(21)18-11-5-6-11/h2-4,7,9,11H,5-6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyIHLOBFOIDPUVFI-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.97
Rot. Bonds6

About N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 24737491) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID24737491
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C(=O)NCc2nc(C(=O)NC3CC3)cs2)c1
InChIInChI=1S/C16H17N3O3S/c1-22-12-4-2-3-10(7-12)15(20)17-8-14-19-13(9-23-14)16(21)18-11-5-6-11/h2-4,7,9,11H,5-6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyIHLOBFOIDPUVFI-UHFFFAOYSA-N
XLogP1.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
N-[2-[(3-methoxybenzoyl)amino]ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 86921294
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
6-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109093839
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 17226027
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide (CID 24737491) is N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide is COc1cccc(C(=O)NCc2nc(C(=O)NC3CC3)cs2)c1.
What is the InChIKey of N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IHLOBFOIDPUVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-22-12-4-2-3-10(7-12)15(20)17-8-14-19-13(9-23-14)16(21)18-11-5-6-11/h2-4,7,9,11H,5-6,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24737491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).