2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid

C10H12N4O2S — CID 112672179

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nn(C)cc1CNc1ncc(C(=O)O)s1
InChIInChI=1S/C10H12N4O2S/c1-6-7(5-14(2)13-6)3-11-10-12-4-8(17-10)9(15)16/h4-5H,3H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyRQUXFJPYYCSNBN-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.50
Rot. Bonds4

About 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 112672179) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID112672179
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nn(C)cc1CNc1ncc(C(=O)O)s1
InChIInChI=1S/C10H12N4O2S/c1-6-7(5-14(2)13-6)3-11-10-12-4-8(17-10)9(15)16/h4-5H,3H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyRQUXFJPYYCSNBN-UHFFFAOYSA-N
XLogP1.50
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112671804
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104599696
2-[[2-(trifluoromethyl)phenyl]methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571494
2-[(6-methyl-2-pyridinyl)methylamino]-1,3-thiazole-5-carboxylic acid
CID 80571425
2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571029
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-thiazole-5-carboxylic acid
CID 80571798
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-(2-aminoethylamino)-1,3-thiazole-5-carboxylic acid
CID 130569064
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
3-amino-5-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-ethylthiophene-2-carboxamide
CID 103506198
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 112670751

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid (CID 112672179) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid is Cc1nn(C)cc1CNc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is RQUXFJPYYCSNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-7(5-14(2)13-6)3-11-10-12-4-8(17-10)9(15)16/h4-5H,3H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 252.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 112672179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).