2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide

C17H22N2O3S — CID 46560358

IUPAC2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C17H22N2O3S/c1-5-11(6-2)18-16(20)13-10-23-17(19-13)12-8-7-9-14(21-3)15(12)22-4/h7-11H,5-6H2,1-4H3,(H,18,20)
InChIKeyORTMKLOKSRTMNN-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.75
Rot. Bonds7

About 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide

2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 46560358) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
PubChem CID46560358
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C17H22N2O3S/c1-5-11(6-2)18-16(20)13-10-23-17(19-13)12-8-7-9-14(21-3)15(12)22-4/h7-11H,5-6H2,1-4H3,(H,18,20)
InChIKeyORTMKLOKSRTMNN-UHFFFAOYSA-N
XLogP3.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46551536
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606
2-(2,3-dimethoxyphenyl)-N-(2,3-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 46550031
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 24671896
2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36717326
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
2-(2,3-dimethoxyphenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 37271822
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide (CID 46560358) is 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide is CCC(CC)NC(=O)c1csc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ORTMKLOKSRTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-11(6-2)18-16(20)13-10-23-17(19-13)12-8-7-9-14(21-3)15(12)22-4/h7-11H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide?
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46560358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).