3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid

C16H17N3O3S — CID 42795963

IUPAC3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1csc(Nc2ccccc2)n1)C1CC1
InChIInChI=1S/C16H17N3O3S/c20-14(21)8-9-19(12-6-7-12)15(22)13-10-23-16(18-13)17-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,17,18)(H,20,21)
InChIKeyBUWZYPBZIQZIHC-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.97
Rot. Bonds7

About 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid

3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid (PubChem CID 42795963) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
PubChem CID42795963
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1csc(Nc2ccccc2)n1)C1CC1
InChIInChI=1S/C16H17N3O3S/c20-14(21)8-9-19(12-6-7-12)15(22)13-10-23-16(18-13)17-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,17,18)(H,20,21)
InChIKeyBUWZYPBZIQZIHC-UHFFFAOYSA-N
XLogP2.97
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
2-(2-chloroanilino)-N-cyclopropyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813493
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
N-cyclopropyl-2-(3,4-dichloroanilino)-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813478
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 122146301
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 42813263
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813573
3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 63024405
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
2-[(2-anilino-1,3-thiazol-4-yl)methyl-cyclopropylamino]ethanol
CID 56813292
N-cyclopropyl-2-(2,3-dichloroanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137337

Frequently Asked Questions

What is the IUPAC name of 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid (CID 42795963) is 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid is O=C(O)CCN(C(=O)c1csc(Nc2ccccc2)n1)C1CC1.
What is the InChIKey of 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid?
The InChIKey is BUWZYPBZIQZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-14(21)8-9-19(12-6-7-12)15(22)13-10-23-16(18-13)17-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,17,18)(H,20,21).
What are the key properties of 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid?
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid has a molecular weight of 331.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 42795963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).