N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide

C18H16Cl2N2OS — CID 7948646

IUPACN-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C18H16Cl2N2OS/c1-11(2)10-22(17(23)12-7-8-13(19)14(20)9-12)18-21-15-5-3-4-6-16(15)24-18/h3-9,11H,10H2,1-2H3
InChIKeySZJBQRVJQMKGPO-UHFFFAOYSA-N
MW379.31 g/mol
LogP5.91
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide

N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide (PubChem CID 7948646) has the molecular formula C18H16Cl2N2OS and a molecular weight of 379.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide
PubChem CID7948646
Molecular FormulaC18H16Cl2N2OS
Molecular Weight379.31 g/mol
Exact Mass378.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1
InChIInChI=1S/C18H16Cl2N2OS/c1-11(2)10-22(17(23)12-7-8-13(19)14(20)9-12)18-21-15-5-3-4-6-16(15)24-18/h3-9,11H,10H2,1-2H3
InChIKeySZJBQRVJQMKGPO-UHFFFAOYSA-N
XLogP5.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.31
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(3,4-dichlorophenyl)-N-(2-methylpropyl)acetamide
CID 2479771
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-4-nitrobenzamide
CID 7733341
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 25469078
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,4-dichloro-N-methylbenzamide
CID 8820373
N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 24817803
(E)-N-(1,3-benzothiazol-2-yl)-3-(3-chlorophenyl)-N-(2-methylpropyl)prop-2-enamide
CID 8894169
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18193246
N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide
CID 16559996
N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-methylpropyl)benzamide
CID 2498617
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3,4-dimethylbenzamide
CID 7577259
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]naphthalene-2-carboxamide
CID 41026972

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide (CID 7948646) is N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide?
The InChIKey is SZJBQRVJQMKGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2OS/c1-11(2)10-22(17(23)12-7-8-13(19)14(20)9-12)18-21-15-5-3-4-6-16(15)24-18/h3-9,11H,10H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide?
N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide has a molecular weight of 379.31 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 7948646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).