2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid

C13H17N3O4S — CID 82033266

IUPAC2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1csc(NC(=O)C2CC2)n1)C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-6(2)9(12(19)20)15-11(18)8-5-21-13(14-8)16-10(17)7-3-4-7/h5-7,9H,3-4H2,1-2H3,(H,15,18)(H,19,20)(H,14,16,17)
InChIKeyFQGWEKHMGFVBKP-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.33
Rot. Bonds6

About 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid

2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 82033266) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
PubChem CID82033266
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1csc(NC(=O)C2CC2)n1)C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-6(2)9(12(19)20)15-11(18)8-5-21-13(14-8)16-10(17)7-3-4-7/h5-7,9H,3-4H2,1-2H3,(H,15,18)(H,19,20)(H,14,16,17)
InChIKeyFQGWEKHMGFVBKP-UHFFFAOYSA-N
XLogP1.33
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

3-methyl-2-[[2-(3-methylbutanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 82033281
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719
N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 30472924
3-methyl-2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84555879
(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
2-(aminomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 119722070
(2R)-3-methyl-2-[[2-(3-nitrophenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119369388
2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 35262964
2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
CID 75361389
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid (CID 82033266) is 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1csc(NC(=O)C2CC2)n1)C(=O)O.
What is the InChIKey of 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is FQGWEKHMGFVBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-6(2)9(12(19)20)15-11(18)8-5-21-13(14-8)16-10(17)7-3-4-7/h5-7,9H,3-4H2,1-2H3,(H,15,18)(H,19,20)(H,14,16,17).
What are the key properties of 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid?
2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 311.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropanecarbonylamino)-1,3-thiazole-4-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 82033266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).