4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide

C15H19N3O2S — CID 52906123

IUPAC4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1snc(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H19N3O2S/c1-3-4-9-17-15(19)14-12(16)13(18-21-14)10-5-7-11(20-2)8-6-10/h5-8H,3-4,9,16H2,1-2H3,(H,17,19)
InChIKeyMUWIICKJOOPRRH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.93
Rot. Bonds6

About 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide

4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide (PubChem CID 52906123) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
PubChem CID52906123
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1snc(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C15H19N3O2S/c1-3-4-9-17-15(19)14-12(16)13(18-21-14)10-5-7-11(20-2)8-6-10/h5-8H,3-4,9,16H2,1-2H3,(H,17,19)
InChIKeyMUWIICKJOOPRRH-UHFFFAOYSA-N
XLogP2.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.93
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

4-amino-3-(4-methoxyphenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 52906119
4-amino-3-(3-fluorophenyl)-N-pentyl-1,2-thiazole-5-carboxamide
CID 52906064
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327
4-amino-3-(4-fluorophenyl)-N-(2-methylpropyl)-1,2-thiazole-5-carboxamide
CID 53335719
4-methoxy-N-pentylbenzamide
CID 3113360
4-amino-3-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906101
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
methyl 4-amino-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741
4-amino-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-1,2-thiazole-5-carboxamide
CID 52906086
4-amino-3-phenyl-N-(2-thiophen-2-ylethyl)-1,2-thiazole-5-carboxamide
CID 53335695

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide (CID 52906123) is 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide is CCCCNC(=O)c1snc(-c2ccc(OC)cc2)c1N.
What is the InChIKey of 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide?
The InChIKey is MUWIICKJOOPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-4-9-17-15(19)14-12(16)13(18-21-14)10-5-7-11(20-2)8-6-10/h5-8H,3-4,9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide?
4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-(4-methoxyphenyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 52906123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).