6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid

C15H15N5O3S — CID 141181188

IUPAC6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(Nc3nccs3)nc2cc1N1CCOCC1
InChIInChI=1S/C15H15N5O3S/c21-13(22)9-7-10-11(8-12(9)20-2-4-23-5-3-20)18-14(17-10)19-15-16-1-6-24-15/h1,6-8H,2-5H2,(H,21,22)(H2,16,17,18,19)
InChIKeyINCVDFZOKKRURX-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.30
Rot. Bonds4

About 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid

6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid (PubChem CID 141181188) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
PubChem CID141181188
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(Nc3nccs3)nc2cc1N1CCOCC1
InChIInChI=1S/C15H15N5O3S/c21-13(22)9-7-10-11(8-12(9)20-2-4-23-5-3-20)18-14(17-10)19-15-16-1-6-24-15/h1,6-8H,2-5H2,(H,21,22)(H2,16,17,18,19)
InChIKeyINCVDFZOKKRURX-UHFFFAOYSA-N
XLogP2.30
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1,3-thiazol-2-ylamino)methyl]-3H-benzimidazole-5-carboxylic acid
CID 50907685
methyl 2-[[(3S,4R)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-3H-benzimidazole-5-carboxylate
CID 75410801
6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-5-carboxylic acid
CID 108042867
6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-5-carboxylic acid
CID 108042868
6-fluoro-2-(2-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 108042869
6-fluoro-2-(1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
CID 114031249
methyl 2-[[4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-3H-benzimidazole-5-carboxylate
CID 163034829
3-(1,3-thiazol-5-yl)propyl 2-(difluoromethyl)-1H-benzimidazole-4-carboxylate
CID 166262257
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3H-benzimidazole-5-carboxylic acid
CID 167776882
2-[5-(trifluoromethyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxylic acid
CID 167903178
2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)-2-pyridinyl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid
CID 19963106
2-[2-(1,3-benzothiazol-5-yl)-1H-imidazol-4-yl]-1-[2-(methyloxy)ethyl]-1H-benzimidazole-5-carboxylic acid
CID 53475903

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid (CID 141181188) is 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid is O=C(O)c1cc2[nH]c(Nc3nccs3)nc2cc1N1CCOCC1.
What is the InChIKey of 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is INCVDFZOKKRURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c21-13(22)9-7-10-11(8-12(9)20-2-4-23-5-3-20)18-14(17-10)19-15-16-1-6-24-15/h1,6-8H,2-5H2,(H,21,22)(H2,16,17,18,19).
What are the key properties of 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid?
6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 345.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 141181188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).