2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

C14H13N3O2S — CID 131896751

IUPAC2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2nc3c(C)cccc3o2)cs1
InChIInChI=1S/C14H13N3O2S/c1-8-4-3-5-11-13(8)17-12(19-11)6-15-14(18)10-7-20-9(2)16-10/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyVRSFNHLTFQIVDW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.83
Rot. Bonds3

About 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 131896751) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID131896751
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2nc3c(C)cccc3o2)cs1
InChIInChI=1S/C14H13N3O2S/c1-8-4-3-5-11-13(8)17-12(19-11)6-15-14(18)10-7-20-9(2)16-10/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyVRSFNHLTFQIVDW-UHFFFAOYSA-N
XLogP2.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 131896751) is 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2nc3c(C)cccc3o2)cs1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VRSFNHLTFQIVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-8-4-3-5-11-13(8)17-12(19-11)6-15-14(18)10-7-20-9(2)16-10/h3-5,7H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131896751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).