N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide

C18H22N4OS — CID 77083723

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(Cn3ccnc3)C(C)(C)C)cc2s1
InChIInChI=1S/C18H22N4OS/c1-12-20-14-6-5-13(9-15(14)24-12)17(23)21-16(18(2,3)4)10-22-8-7-19-11-22/h5-9,11,16H,10H2,1-4H3,(H,21,23)
InChIKeyJSPSIMMJFHTQFU-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.65
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 77083723) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID77083723
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(Cn3ccnc3)C(C)(C)C)cc2s1
InChIInChI=1S/C18H22N4OS/c1-12-20-14-6-5-13(9-15(14)24-12)17(23)21-16(18(2,3)4)10-22-8-7-19-11-22/h5-9,11,16H,10H2,1-4H3,(H,21,23)
InChIKeyJSPSIMMJFHTQFU-UHFFFAOYSA-N
XLogP3.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 75373604
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CID 71887640
4-chloro-3-fluoro-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)benzamide
CID 131909336
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-(5-methyltetrazol-1-yl)benzamide
CID 74232043
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786820
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141
N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide
CID 126425068
1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
CID 72941380
2-amino-N-(2-imidazol-1-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 65349253
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-7-methoxy-2-methylquinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide (CID 77083723) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)NC(Cn3ccnc3)C(C)(C)C)cc2s1.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is JSPSIMMJFHTQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12-20-14-6-5-13(9-15(14)24-12)17(23)21-16(18(2,3)4)10-22-8-7-19-11-22/h5-9,11,16H,10H2,1-4H3,(H,21,23).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 77083723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).