N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide

C18H14ClN3O3S — CID 16954198

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)cc(Cl)cc3s2)no1
InChIInChI=1S/C18H14ClN3O3S/c1-10-6-12(19)8-15-16(10)20-18(26-15)22(9-13-4-3-5-24-13)17(23)14-7-11(2)25-21-14/h3-8H,9H2,1-2H3
InChIKeyFEURTNWKPIEIKT-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.99
Rot. Bonds4

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 16954198) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID16954198
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)cc(Cl)cc3s2)no1
InChIInChI=1S/C18H14ClN3O3S/c1-10-6-12(19)8-15-16(10)20-18(26-15)22(9-13-4-3-5-24-13)17(23)14-7-11(2)25-21-14/h3-8H,9H2,1-2H3
InChIKeyFEURTNWKPIEIKT-UHFFFAOYSA-N
XLogP4.99
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 30713971
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41363044
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-propan-2-ylsulfonylbenzamide
CID 30714093
4-[benzyl(methyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949657
4-[butyl(ethyl)sulfamoyl]-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 44949654
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30709572
(Z)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 30713817
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 30709797
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 43968285
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 44949322
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 30709801
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 30709759

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide (CID 16954198) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccco2)c2nc3c(C)cc(Cl)cc3s2)no1.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is FEURTNWKPIEIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-10-6-12(19)8-15-16(10)20-18(26-15)22(9-13-4-3-5-24-13)17(23)14-7-11(2)25-21-14/h3-8H,9H2,1-2H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 387.85 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 16954198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).