4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid

C9H8N2O2S — CID 7131217

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1nc(-c2c[nH]c(C(=O)O)c2)cs1
InChIInChI=1S/C9H8N2O2S/c1-5-11-8(4-14-5)6-2-7(9(12)13)10-3-6/h2-4,10H,1H3,(H,12,13)
InChIKeyOHPWUXLRWDOXFY-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.14
Rot. Bonds2

About 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid

4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 7131217) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID7131217
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCc1nc(-c2c[nH]c(C(=O)O)c2)cs1
InChIInChI=1S/C9H8N2O2S/c1-5-11-8(4-14-5)6-2-7(9(12)13)10-3-6/h2-4,10H,1H3,(H,12,13)
InChIKeyOHPWUXLRWDOXFY-UHFFFAOYSA-N
XLogP2.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid (CID 7131217) is 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid is Cc1nc(-c2c[nH]c(C(=O)O)c2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is OHPWUXLRWDOXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-11-8(4-14-5)6-2-7(9(12)13)10-3-6/h2-4,10H,1H3,(H,12,13).
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid?
4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 7131217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).