[4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine

C13H13N3OS — CID 55249769

IUPAC[4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2c(C)cccc2o1
InChIInChI=1S/C13H13N3OS/c1-7-4-3-5-9-11(7)16-13(17-9)12-8(2)15-10(6-14)18-12/h3-5H,6,14H2,1-2H3
InChIKeyFQZJMDVQSAOELU-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.03
Rot. Bonds2

About [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine

[4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 55249769) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID55249769
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name[4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(CN)sc1-c1nc2c(C)cccc2o1
InChIInChI=1S/C13H13N3OS/c1-7-4-3-5-9-11(7)16-13(17-9)12-8(2)15-10(6-14)18-12/h3-5H,6,14H2,1-2H3
InChIKeyFQZJMDVQSAOELU-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine (CID 55249769) is [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine is Cc1nc(CN)sc1-c1nc2c(C)cccc2o1.
What is the InChIKey of [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is FQZJMDVQSAOELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-4-3-5-9-11(7)16-13(17-9)12-8(2)15-10(6-14)18-12/h3-5H,6,14H2,1-2H3.
What are the key properties of [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine?
[4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 259.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(4-methyl-1,3-benzoxazol-2-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55249769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).