N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C18H14ClN3O3S — CID 39820857

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C18H14ClN3O3S/c19-12-8-15-16(25-6-5-24-15)9-14(12)22-17(23)7-11-10-26-18(21-11)13-3-1-2-4-20-13/h1-4,8-10H,5-7H2,(H,22,23)
InChIKeyDBRXYNUELOPMMO-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.81
Rot. Bonds4

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 39820857) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID39820857
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)Nc1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C18H14ClN3O3S/c19-12-8-15-16(25-6-5-24-15)9-14(12)22-17(23)7-11-10-26-18(21-11)13-3-1-2-4-20-13/h1-4,8-10H,5-7H2,(H,22,23)
InChIKeyDBRXYNUELOPMMO-UHFFFAOYSA-N
XLogP3.81
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 51118347
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-(2,5-dimethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17438834
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55388333
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27667849
N-(2,5-diethoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563479
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563450
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26771720
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 16572212
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562621

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 39820857) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)Nc1cc2c(cc1Cl)OCCO2.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is DBRXYNUELOPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-12-8-15-16(25-6-5-24-15)9-14(12)22-17(23)7-11-10-26-18(21-11)13-3-1-2-4-20-13/h1-4,8-10H,5-7H2,(H,22,23).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 387.85 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 39820857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).