2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C11H12N4O3S — CID 106106169

IUPAC2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCn1ccc(CCNC(=O)c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H12N4O3S/c1-15-5-3-7(14-15)2-4-12-9(16)10-13-8(6-19-10)11(17)18/h3,5-6H,2,4H2,1H3,(H,12,16)(H,17,18)
InChIKeyLRBZLUGHMKDOAQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.55
Rot. Bonds5

About 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 106106169) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID106106169
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Name2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCn1ccc(CCNC(=O)c2nc(C(=O)O)cs2)n1
InChIInChI=1S/C11H12N4O3S/c1-15-5-3-7(14-15)2-4-12-9(16)10-13-8(6-19-10)11(17)18/h3,5-6H,2,4H2,1H3,(H,12,16)(H,17,18)
InChIKeyLRBZLUGHMKDOAQ-UHFFFAOYSA-N
XLogP0.55
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106106171
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104627180
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106106049
2-[2-[(1-methylpyrazol-3-yl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374301
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
2-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696744
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114539271
2-[[(E)-pent-3-enyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697444

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 106106169) is 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is Cn1ccc(CCNC(=O)c2nc(C(=O)O)cs2)n1.
What is the InChIKey of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LRBZLUGHMKDOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-15-5-3-7(14-15)2-4-12-9(16)10-13-8(6-19-10)11(17)18/h3,5-6H,2,4H2,1H3,(H,12,16)(H,17,18).
What are the key properties of 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 280.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106106169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).