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

C14H17N3OS — CID 110330174

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2csc(N)n2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-4-3-5-12(10(9)2)17-13(18)7-6-11-8-19-14(15)16-11/h3-5,8H,6-7H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyIKZWEIXHKDZDFI-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.91
Rot. Bonds4

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

3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 110330174) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID110330174
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2csc(N)n2)c1C
InChIInChI=1S/C14H17N3OS/c1-9-4-3-5-12(10(9)2)17-13(18)7-6-11-8-19-14(15)16-11/h3-5,8H,6-7H2,1-2H3,(H2,15,16)(H,17,18)
InChIKeyIKZWEIXHKDZDFI-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
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3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide
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3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
CID 7964922
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
N-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
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2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 62788927
N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208657
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578
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CID 110718046

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide (CID 110330174) is 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCc2csc(N)n2)c1C.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is IKZWEIXHKDZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-4-3-5-12(10(9)2)17-13(18)7-6-11-8-19-14(15)16-11/h3-5,8H,6-7H2,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.91, 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-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 110330174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).