N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide

C16H15N3O2S2 — CID 7287220

IUPACN-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc(C)c1C
InChIInChI=1S/C16H15N3O2S2/c1-8-9(2)23-16(13(8)15(21)17-3)19-14(20)10-4-5-11-12(6-10)22-7-18-11/h4-7H,1-3H3,(H,17,21)(H,19,20)
InChIKeyZXDRVVPUUHVFKR-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.59
Rot. Bonds3

About N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide

N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 7287220) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID7287220
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc(C)c1C
InChIInChI=1S/C16H15N3O2S2/c1-8-9(2)23-16(13(8)15(21)17-3)19-14(20)10-4-5-11-12(6-10)22-7-18-11/h4-7H,1-3H3,(H,17,21)(H,19,20)
InChIKeyZXDRVVPUUHVFKR-UHFFFAOYSA-N
XLogP3.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6S)-6-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7190277
N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
CID 7520924
N,4,5-trimethyl-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 7520874
N,4,5-trimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxamide
CID 7520896
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 112691395
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
ethyl (7S)-2-(1,3-benzothiazole-6-carbonylamino)-7-oxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-3-carboxylate
CID 39915278
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
diethyl 2-(1,3-benzothiazole-6-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 5203136
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide (CID 7287220) is N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide is CNC(=O)c1c(NC(=O)c2ccc3ncsc3c2)sc(C)c1C.
What is the InChIKey of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is ZXDRVVPUUHVFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-8-9(2)23-16(13(8)15(21)17-3)19-14(20)10-4-5-11-12(6-10)22-7-18-11/h4-7H,1-3H3,(H,17,21)(H,19,20).
What are the key properties of N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 7287220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).