1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

C10H12N4O3S — CID 19622504

IUPAC1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCC(C(=O)NC1=NCCS1)n1cc(C(=O)O)cn1
InChIInChI=1S/C10H12N4O3S/c1-6(8(15)13-10-11-2-3-18-10)14-5-7(4-12-14)9(16)17/h4-6H,2-3H2,1H3,(H,16,17)(H,11,13,15)
InChIKeyKVIKCOFHKUMYPA-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.36
Rot. Bonds3

About 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid

1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (PubChem CID 19622504) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
PubChem CID19622504
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
SMILESCC(C(=O)NC1=NCCS1)n1cc(C(=O)O)cn1
InChIInChI=1S/C10H12N4O3S/c1-6(8(15)13-10-11-2-3-18-10)14-5-7(4-12-14)9(16)17/h4-6H,2-3H2,1H3,(H,16,17)(H,11,13,15)
InChIKeyKVIKCOFHKUMYPA-UHFFFAOYSA-N
XLogP0.36
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[4-(diethylamino)anilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504874
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504919
3-[4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622268
1-[1-oxo-1-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-yl]pyrazole-4-carboxylic acid
CID 19504978
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622412
1-[1-[[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19470951
1-[1-[1-(1-adamantyl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19504980
1-[1-[1-(4-tert-butylphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505011
1-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622437
1-[1-[3-(4-bromopyrazol-1-yl)propylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505060
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
CID 52876063
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622428

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid (CID 19622504) is 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is CC(C(=O)NC1=NCCS1)n1cc(C(=O)O)cn1.
What is the InChIKey of 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is KVIKCOFHKUMYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-6(8(15)13-10-11-2-3-18-10)14-5-7(4-12-14)9(16)17/h4-6H,2-3H2,1H3,(H,16,17)(H,11,13,15).
What are the key properties of 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid?
1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 268.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19622504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).