N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide

C14H16N6O3S2 — CID 171100081

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide
SMILESCNS(=O)(=O)Nc1nc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cs1
InChIInChI=1S/C14H16N6O3S2/c1-8-3-4-9-10(5-8)18-12(17-9)6-16-13(21)11-7-24-14(19-11)20-25(22,23)15-2/h3-5,7,15H,6H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyXLGGSOGIXCBGBE-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.13
Rot. Bonds6

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 171100081) has the molecular formula C14H16N6O3S2 and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide
PubChem CID171100081
Molecular FormulaC14H16N6O3S2
Molecular Weight380.46 g/mol
Exact Mass380.07
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide
SMILESCNS(=O)(=O)Nc1nc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cs1
InChIInChI=1S/C14H16N6O3S2/c1-8-3-4-9-10(5-8)18-12(17-9)6-16-13(21)11-7-24-14(19-11)20-25(22,23)15-2/h3-5,7,15H,6H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyXLGGSOGIXCBGBE-UHFFFAOYSA-N
XLogP1.13
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide (CID 171100081) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide is CNS(=O)(=O)Nc1nc(C(=O)NCc2nc3ccc(C)cc3[nH]2)cs1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is XLGGSOGIXCBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S2/c1-8-3-4-9-10(5-8)18-12(17-9)6-16-13(21)11-7-24-14(19-11)20-25(22,23)15-2/h3-5,7,15H,6H2,1-2H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(methylsulfamoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171100081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).