N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine

C15H17N3O2S — CID 71975787

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3sc(C)nc3C)ccc2o1
InChIInChI=1S/C15H17N3O2S/c1-9-14(21-10(2)17-9)7-16-11-4-5-13-12(6-11)18-15(20-13)8-19-3/h4-6,16H,7-8H2,1-3H3
InChIKeyANYWCBVYCUZTJP-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.66
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine (PubChem CID 71975787) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine
PubChem CID71975787
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine
SMILESCOCc1nc2cc(NCc3sc(C)nc3C)ccc2o1
InChIInChI=1S/C15H17N3O2S/c1-9-14(21-10(2)17-9)7-16-11-4-5-13-12(6-11)18-15(20-13)8-19-3/h4-6,16H,7-8H2,1-3H3
InChIKeyANYWCBVYCUZTJP-UHFFFAOYSA-N
XLogP3.66
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine 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 N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine (CID 71975787) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine is COCc1nc2cc(NCc3sc(C)nc3C)ccc2o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
The InChIKey is ANYWCBVYCUZTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-14(21-10(2)17-9)7-16-11-4-5-13-12(6-11)18-15(20-13)8-19-3/h4-6,16H,7-8H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine has a molecular weight of 303.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(methoxymethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 71975787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).