N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

C23H20ClN3OS — CID 43986816

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cccc(CC(=O)N(Cc2ccccn2)c2nc3c(C)cc(Cl)cc3s2)c1
InChIInChI=1S/C23H20ClN3OS/c1-15-6-5-7-17(10-15)12-21(28)27(14-19-8-3-4-9-25-19)23-26-22-16(2)11-18(24)13-20(22)29-23/h3-11,13H,12,14H2,1-2H3
InChIKeyAVCVTTZMGZJBTA-UHFFFAOYSA-N
MW421.95 g/mol
LogP5.74
Rot. Bonds5

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43986816) has the molecular formula C23H20ClN3OS and a molecular weight of 421.95 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43986816
Molecular FormulaC23H20ClN3OS
Molecular Weight421.95 g/mol
Exact Mass421.10
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cccc(CC(=O)N(Cc2ccccn2)c2nc3c(C)cc(Cl)cc3s2)c1
InChIInChI=1S/C23H20ClN3OS/c1-15-6-5-7-17(10-15)12-21(28)27(14-19-8-3-4-9-25-19)23-26-22-16(2)11-18(24)13-20(22)29-23/h3-11,13H,12,14H2,1-2H3
InChIKeyAVCVTTZMGZJBTA-UHFFFAOYSA-N
XLogP5.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.95
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41319321
3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43988430
4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41319323
3-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41319329
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986809
N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986794
(E)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 41319361
2-(5-chlorothiophen-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41340846
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 41319404
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519367
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 43986040
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41319337

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 43986816) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is Cc1cccc(CC(=O)N(Cc2ccccn2)c2nc3c(C)cc(Cl)cc3s2)c1.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AVCVTTZMGZJBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3OS/c1-15-6-5-7-17(10-15)12-21(28)27(14-19-8-3-4-9-25-19)23-26-22-16(2)11-18(24)13-20(22)29-23/h3-11,13H,12,14H2,1-2H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 421.95 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43986816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).