1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid

C11H12N4O3S — CID 19502739

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCc1nc(NC(=O)Cn2cc(C(=O)O)cn2)sc1C
InChIInChI=1S/C11H12N4O3S/c1-6-7(2)19-11(13-6)14-9(16)5-15-4-8(3-12-15)10(17)18/h3-4H,5H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyPKZXVMIMCVBCHC-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.29
Rot. Bonds4

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid (PubChem CID 19502739) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
PubChem CID19502739
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid
SMILESCc1nc(NC(=O)Cn2cc(C(=O)O)cn2)sc1C
InChIInChI=1S/C11H12N4O3S/c1-6-7(2)19-11(13-6)14-9(16)5-15-4-8(3-12-15)10(17)18/h3-4H,5H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyPKZXVMIMCVBCHC-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-2-(4-methylpyrazol-1-yl)acetamide
CID 53582755
2-[[(2S)-2-amino-3-pyrazol-1-ylpropanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 150022360
2-[(2-Amino-3-pyrazol-1-ylpropanoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 174534639
1-[(4-Carbamoyl-1,3-thiazol-2-yl)methyl]pyrazole-4-carboxylic acid
CID 174612739
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 16599339
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide
CID 19281181
1-[1-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19470959
1-[1-[[4-(1-Ethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19471003
3-[4-[(4,5-Dimethyl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471360
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 19474712
1-[3-[(4,5-Dimethyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483141
5-[(4,5-Dimethyl-1,3-thiazol-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494353

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid (CID 19502739) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid is Cc1nc(NC(=O)Cn2cc(C(=O)O)cn2)sc1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
The InChIKey is PKZXVMIMCVBCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-6-7(2)19-11(13-6)14-9(16)5-15-4-8(3-12-15)10(17)18/h3-4H,5H2,1-2H3,(H,17,18)(H,13,14,16).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid?
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 19502739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).