2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide

C12H9N3O2S — CID 116892007

IUPAC2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc2cc(-c3nc(C(N)=O)cs3)ccc2o1
InChIInChI=1S/C12H9N3O2S/c1-6-14-8-4-7(2-3-10(8)17-6)12-15-9(5-18-12)11(13)16/h2-5H,1H3,(H2,13,16)
InChIKeyNKMHPBAZTXYAQR-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.36
Rot. Bonds2

About 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide

2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 116892007) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID116892007
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc2cc(-c3nc(C(N)=O)cs3)ccc2o1
InChIInChI=1S/C12H9N3O2S/c1-6-14-8-4-7(2-3-10(8)17-6)12-15-9(5-18-12)11(13)16/h2-5H,1H3,(H2,13,16)
InChIKeyNKMHPBAZTXYAQR-UHFFFAOYSA-N
XLogP2.36
TPSA82.01 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-thiol
CID 116889685
[2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892127
2-amino-4-(2-methyl-1,3-benzoxazol-5-yl)phenol
CID 58946383
2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135286
5-[2-(bromomethyl)-1,3-thiazol-4-yl]-2-methyl-1,3-benzoxazole
CID 116970349
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
3-(2-methyl-1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 82492852
2-[4-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968865
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-(4-methylphenyl)quinolin-6-yl]-1,3-thiazole-4-carboxamide
CID 68828209
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
2-methyl-1,3-benzoxazol-5-ol
CID 10888073

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide (CID 116892007) is 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide is Cc1nc2cc(-c3nc(C(N)=O)cs3)ccc2o1.
What is the InChIKey of 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NKMHPBAZTXYAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-6-14-8-4-7(2-3-10(8)17-6)12-15-9(5-18-12)11(13)16/h2-5H,1H3,(H2,13,16).
What are the key properties of 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide?
2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 116892007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).