N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide

C27H22ClN3O2S — CID 43986608

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N(Cc1ccccn1)c1nc2c(C)cc(Cl)cc2s1
InChIInChI=1S/C27H22ClN3O2S/c1-3-33-22-12-11-18-8-4-5-10-21(18)24(22)26(32)31(16-20-9-6-7-13-29-20)27-30-25-17(2)14-19(28)15-23(25)34-27/h4-15H,3,16H2,1-2H3
InChIKeyIVVTVHMKWWQLHK-UHFFFAOYSA-N
MW488.01 g/mol
LogP7.05
Rot. Bonds6

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide (PubChem CID 43986608) has the molecular formula C27H22ClN3O2S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
PubChem CID43986608
Molecular FormulaC27H22ClN3O2S
Molecular Weight488.01 g/mol
Exact Mass487.11
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)N(Cc1ccccn1)c1nc2c(C)cc(Cl)cc2s1
InChIInChI=1S/C27H22ClN3O2S/c1-3-33-22-12-11-18-8-4-5-10-21(18)24(22)26(32)31(16-20-9-6-7-13-29-20)27-30-25-17(2)14-19(28)15-23(25)34-27/h4-15H,3,16H2,1-2H3
InChIKeyIVVTVHMKWWQLHK-UHFFFAOYSA-N
XLogP7.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.01
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43988430
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41319337
4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41319323
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41319321
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,3-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41319389
3-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41319329
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 43967070
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 41319411
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986816
3-butoxy-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41319363
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-methylsulfanyl-N-(pyridin-2-ylmethyl)benzamide
CID 41319404

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide (CID 43986608) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)N(Cc1ccccn1)c1nc2c(C)cc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is IVVTVHMKWWQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O2S/c1-3-33-22-12-11-18-8-4-5-10-21(18)24(22)26(32)31(16-20-9-6-7-13-29-20)27-30-25-17(2)14-19(28)15-23(25)34-27/h4-15H,3,16H2,1-2H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 7.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethoxy-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 43986608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).