2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide

C17H15N5O2S — CID 131914508

IUPAC2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc2sc(N)nc12
InChIInChI=1S/C17H15N5O2S/c1-8-4-10(6-13-14(8)22-16(18)25-13)15(23)19-7-9-2-3-11-12(5-9)21-17(24)20-11/h2-6H,7H2,1H3,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyPRHLQMDYWMDWFK-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide

2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 131914508) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID131914508
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1cc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc2sc(N)nc12
InChIInChI=1S/C17H15N5O2S/c1-8-4-10(6-13-14(8)22-16(18)25-13)15(23)19-7-9-2-3-11-12(5-9)21-17(24)20-11/h2-6H,7H2,1H3,(H2,18,22)(H,19,23)(H2,20,21,24)
InChIKeyPRHLQMDYWMDWFK-UHFFFAOYSA-N
XLogP2.29
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 91680418
4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75454611
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
3-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-carboxamide
CID 75477079
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772085
2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]acetamide
CID 91795899

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide (CID 131914508) is 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide is Cc1cc(C(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)cc2sc(N)nc12.
What is the InChIKey of 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is PRHLQMDYWMDWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-8-4-10(6-13-14(8)22-16(18)25-13)15(23)19-7-9-2-3-11-12(5-9)21-17(24)20-11/h2-6H,7H2,1H3,(H2,18,22)(H,19,23)(H2,20,21,24).
What are the key properties of 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide?
2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 2.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 131914508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).