4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid

C9H10N4O2S — CID 96593089

IUPAC4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid
SMILESNCCc1nc(-c2ccn[nH]2)sc1C(=O)O
InChIInChI=1S/C9H10N4O2S/c10-3-1-5-7(9(14)15)16-8(12-5)6-2-4-11-13-6/h2,4H,1,3,10H2,(H,11,13)(H,14,15)
InChIKeyKWMASMTXQITCPR-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.73
Rot. Bonds4

About 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid

4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 96593089) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID96593089
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid
SMILESNCCc1nc(-c2ccn[nH]2)sc1C(=O)O
InChIInChI=1S/C9H10N4O2S/c10-3-1-5-7(9(14)15)16-8(12-5)6-2-4-11-13-6/h2,4H,1,3,10H2,(H,11,13)(H,14,15)
InChIKeyKWMASMTXQITCPR-UHFFFAOYSA-N
XLogP0.73
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethyl)-2-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 96601787
2-(1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxylic acid
CID 107470253
2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82670099
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970731
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114556534
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
4-(bromomethyl)-2-(4-chlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 58387723
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519
4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114556533
2-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358886
2-[1-[4-methyl-2-(1H-pyrazol-5-yl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 140639559

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid (CID 96593089) is 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid is NCCc1nc(-c2ccn[nH]2)sc1C(=O)O.
What is the InChIKey of 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is KWMASMTXQITCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-3-1-5-7(9(14)15)16-8(12-5)6-2-4-11-13-6/h2,4H,1,3,10H2,(H,11,13)(H,14,15).
What are the key properties of 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid?
4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(1H-pyrazol-5-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 96593089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).