2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid

C11H8N4O2S — CID 87456745

IUPAC2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(Nc3nccs3)[nH]c2c1
InChIInChI=1S/C11H8N4O2S/c16-9(17)6-1-2-7-8(5-6)14-10(13-7)15-11-12-3-4-18-11/h1-5H,(H,16,17)(H2,12,13,14,15)
InChIKeyAUKRPPFEESUNMN-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.46
Rot. Bonds3

About 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid

2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid (PubChem CID 87456745) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
PubChem CID87456745
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(Nc3nccs3)[nH]c2c1
InChIInChI=1S/C11H8N4O2S/c16-9(17)6-1-2-7-8(5-6)14-10(13-7)15-11-12-3-4-18-11/h1-5H,(H,16,17)(H2,12,13,14,15)
InChIKeyAUKRPPFEESUNMN-UHFFFAOYSA-N
XLogP2.46
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
CID 68520464
2-[5-carboxy-2-(methylamino)anilino]-3H-benzimidazole-5-carboxylic acid
CID 71243108
6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
CID 141181188
2-(3-methylsulfonylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563075
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
methyl 4-[[6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-yl]amino]benzoate
CID 82563265
2-[[5-[(6-carboxy-1H-benzimidazol-2-yl)amino]-3a,6a-dipyridin-2-yl-1,6-dihydroimidazo[4,5-d]imidazol-2-yl]amino]-3H-benzimidazole-5-carboxylic acid
CID 57181686
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid (CID 87456745) is 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(Nc3nccs3)[nH]c2c1.
What is the InChIKey of 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is AUKRPPFEESUNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-9(17)6-1-2-7-8(5-6)14-10(13-7)15-11-12-3-4-18-11/h1-5H,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 260.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 87456745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).