2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide

C12H9N3O2S — CID 110765316

IUPAC2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3nccs3)cc2o1
InChIInChI=1S/C12H9N3O2S/c1-7-14-9-3-2-8(6-10(9)17-7)11(16)15-12-13-4-5-18-12/h2-6H,1H3,(H,13,15,16)
InChIKeyOKACTVJIUNYZLH-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.85
Rot. Bonds2

About 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide

2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide (PubChem CID 110765316) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
PubChem CID110765316
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3nccs3)cc2o1
InChIInChI=1S/C12H9N3O2S/c1-7-14-9-3-2-8(6-10(9)17-7)11(16)15-12-13-4-5-18-12/h2-6H,1H3,(H,13,15,16)
InChIKeyOKACTVJIUNYZLH-UHFFFAOYSA-N
XLogP2.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
N-(2-amino-5-thiophen-2-ylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 59736937
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
5-bromo-3-methyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 55775292
2-methylsulfanyl-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60564390
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide (CID 110765316) is 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide is Cc1nc2ccc(C(=O)Nc3nccs3)cc2o1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is OKACTVJIUNYZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-7-14-9-3-2-8(6-10(9)17-7)11(16)15-12-13-4-5-18-12/h2-6H,1H3,(H,13,15,16).
What are the key properties of 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide?
2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-2-yl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).