3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide

C13H14ClN3OS — CID 110330184

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2csc(N)n2)cc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-8-2-3-9(6-11(8)14)16-12(18)5-4-10-7-19-13(15)17-10/h2-3,6-7H,4-5H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXHIMJBFOVQGZIK-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.26
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 110330184) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID110330184
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2csc(N)n2)cc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-8-2-3-9(6-11(8)14)16-12(18)5-4-10-7-19-13(15)17-10/h2-3,6-7H,4-5H2,1H3,(H2,15,17)(H,16,18)
InChIKeyXHIMJBFOVQGZIK-UHFFFAOYSA-N
XLogP3.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208778
4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide
CID 110330174
3-(2-amino-1,3-thiazol-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110330212
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(3-chloro-4-methylphenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide
CID 24855351
methyl 3-[2-(3-chloro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039867
2-(2-amino-1,3-thiazol-4-yl)-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727137
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 110330138
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
2-(2-amino-1,3-thiazol-4-yl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107574425

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide (CID 110330184) is 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2csc(N)n2)cc1Cl.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is XHIMJBFOVQGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8-2-3-9(6-11(8)14)16-12(18)5-4-10-7-19-13(15)17-10/h2-3,6-7H,4-5H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 295.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 110330184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).