N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide

C19H18N4OS — CID 46964217

IUPACN-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc4nc(C)sc4c3)ccc2n1C
InChIInChI=1S/C19H18N4OS/c1-4-18-22-15-10-13(6-8-16(15)23(18)3)21-19(24)12-5-7-14-17(9-12)25-11(2)20-14/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyDYASWILNOLNRNN-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.31
Rot. Bonds3

About N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 46964217) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID46964217
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc4nc(C)sc4c3)ccc2n1C
InChIInChI=1S/C19H18N4OS/c1-4-18-22-15-10-13(6-8-16(15)23(18)3)21-19(24)12-5-7-14-17(9-12)25-11(2)20-14/h5-10H,4H2,1-3H3,(H,21,24)
InChIKeyDYASWILNOLNRNN-UHFFFAOYSA-N
XLogP4.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
CID 100776792
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
2-methyl-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 976614
N-(1,2-diethylbenzimidazol-5-yl)-1-methylindole-6-carboxamide
CID 131947501
4-methyl-N-[1-methyl-2-[(2-methylphenyl)methyl]benzimidazol-5-yl]benzamide
CID 46260906
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592754

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 46964217) is N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide is CCc1nc2cc(NC(=O)c3ccc4nc(C)sc4c3)ccc2n1C.
What is the InChIKey of N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is DYASWILNOLNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-4-18-22-15-10-13(6-8-16(15)23(18)3)21-19(24)12-5-7-14-17(9-12)25-11(2)20-14/h5-10H,4H2,1-3H3,(H,21,24).
What are the key properties of N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 46964217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).