N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide

C18H21N3O3S — CID 166360191

IUPACN-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CC(CNC(=O)c3cncs3)C2)ccc1C
InChIInChI=1S/C18H21N3O3S/c1-11-3-4-13(7-15(11)24-2)17(22)21-14-5-12(6-14)8-20-18(23)16-9-19-10-25-16/h3-4,7,9-10,12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHRFFPDQTZOQONI-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.40
Rot. Bonds6

About N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide

N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 166360191) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID166360191
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CC(CNC(=O)c3cncs3)C2)ccc1C
InChIInChI=1S/C18H21N3O3S/c1-11-3-4-13(7-15(11)24-2)17(22)21-14-5-12(6-14)8-20-18(23)16-9-19-10-25-16/h3-4,7,9-10,12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHRFFPDQTZOQONI-UHFFFAOYSA-N
XLogP2.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-[(1S,2S)-2-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]cyclopropyl]-1,3-thiazole-5-carboxamide
CID 167859713
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 60590871
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide (CID 166360191) is N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide is COc1cc(C(=O)NC2CC(CNC(=O)c3cncs3)C2)ccc1C.
What is the InChIKey of N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HRFFPDQTZOQONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-3-4-13(7-15(11)24-2)17(22)21-14-5-12(6-14)8-20-18(23)16-9-19-10-25-16/h3-4,7,9-10,12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide?
N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methoxy-4-methylbenzoyl)amino]cyclobutyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166360191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).