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

C18H23N3O3S — CID 84555627

IUPACN-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCCCCCNC(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C18H23N3O3S/c1-3-4-5-6-11-19-17(23)15-12-25-18(20-15)21-16(22)13-7-9-14(24-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyRMQKLVMNAGIEQO-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.71
Rot. Bonds9

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

N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84555627) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84555627
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCCCCCNC(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C18H23N3O3S/c1-3-4-5-6-11-19-17(23)15-12-25-18(20-15)21-16(22)13-7-9-14(24-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyRMQKLVMNAGIEQO-UHFFFAOYSA-N
XLogP3.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555706
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-[2-(4-hydroxyphenyl)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555612
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
4-methoxy-N-pentylbenzamide
CID 3113360
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
N-(4-aminobutyl)-2-[(3,4-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 19611226
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
N-(furan-2-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555623

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide (CID 84555627) is N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is CCCCCCNC(=O)c1csc(NC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is RMQKLVMNAGIEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-4-5-6-11-19-17(23)15-12-25-18(20-15)21-16(22)13-7-9-14(24-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide?
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84555627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).