2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide

C17H13F2N5OS — CID 58397441

IUPAC2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(Nc1nc3cc(F)c(F)cc3s1)n2C
InChIInChI=1S/C17H13F2N5OS/c1-20-15(25)8-3-4-13-11(5-8)21-16(24(13)2)23-17-22-12-6-9(18)10(19)7-14(12)26-17/h3-7H,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyZHNQCEYDYFBCSU-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.56
Rot. Bonds3

About 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide

2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide (PubChem CID 58397441) has the molecular formula C17H13F2N5OS and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide
PubChem CID58397441
Molecular FormulaC17H13F2N5OS
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC Name2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(Nc1nc3cc(F)c(F)cc3s1)n2C
InChIInChI=1S/C17H13F2N5OS/c1-20-15(25)8-3-4-13-11(5-8)21-16(24(13)2)23-17-22-12-6-9(18)10(19)7-14(12)26-17/h3-7H,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyZHNQCEYDYFBCSU-UHFFFAOYSA-N
XLogP3.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide (CID 58397441) is 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(Nc1nc3cc(F)c(F)cc3s1)n2C.
What is the InChIKey of 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide?
The InChIKey is ZHNQCEYDYFBCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5OS/c1-20-15(25)8-3-4-13-11(5-8)21-16(24(13)2)23-17-22-12-6-9(18)10(19)7-14(12)26-17/h3-7H,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide?
2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-difluoro-1,3-benzothiazol-2-yl)amino]-N,1-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 58397441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).