N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C22H15ClN4O3S — CID 43987101

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H15ClN4O3S/c23-14-8-9-16-19(11-14)31-21(25-16)27(12-15-5-3-4-10-24-15)20(28)13-26-17-6-1-2-7-18(17)30-22(26)29/h1-11H,12-13H2
InChIKeyJUDMOLTUIPLOSD-UHFFFAOYSA-N
MW450.91 g/mol
LogP4.49
Rot. Bonds5

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43987101) has the molecular formula C22H15ClN4O3S and a molecular weight of 450.91 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID43987101
Molecular FormulaC22H15ClN4O3S
Molecular Weight450.91 g/mol
Exact Mass450.06
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H15ClN4O3S/c23-14-8-9-16-19(11-14)31-21(25-16)27(12-15-5-3-4-10-24-15)20(28)13-26-17-6-1-2-7-18(17)30-22(26)29/h1-11H,12-13H2
InChIKeyJUDMOLTUIPLOSD-UHFFFAOYSA-N
XLogP4.49
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987017
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987073
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987549
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 41340835
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 41320891
2-(2,5-dioxopyrrolidin-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 40519251
2-(benzotriazol-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987159
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 43998187
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 43998159
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 16823083
N-(6-chloro-1,3-benzothiazol-2-yl)-2,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 16849144
2,5-dichloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055700

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 43987101) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccn1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JUDMOLTUIPLOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O3S/c23-14-8-9-16-19(11-14)31-21(25-16)27(12-15-5-3-4-10-24-15)20(28)13-26-17-6-1-2-7-18(17)30-22(26)29/h1-11H,12-13H2.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 450.91 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43987101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).