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

C13H13N3OS — CID 115917264

IUPAC2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC(C)c3cncs3)ccc2o1
InChIInChI=1S/C13H13N3OS/c1-8(13-6-14-7-18-13)15-10-3-4-12-11(5-10)16-9(2)17-12/h3-8,15H,1-2H3
InChIKeyUJZBIXPNWYOQJX-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.77
Rot. Bonds3

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

2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (PubChem CID 115917264) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
PubChem CID115917264
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
SMILESCc1nc2cc(NC(C)c3cncs3)ccc2o1
InChIInChI=1S/C13H13N3OS/c1-8(13-6-14-7-18-13)15-10-3-4-12-11(5-10)16-9(2)17-12/h3-8,15H,1-2H3
InChIKeyUJZBIXPNWYOQJX-UHFFFAOYSA-N
XLogP3.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 107167672
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine
CID 47027516
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115917439
N-[1-(4-ethylphenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43110726
2-chloro-4-[1-(1,3-thiazol-5-yl)ethylamino]phenol
CID 107678452
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 43769785
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 82964735
4-bromo-3,5-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 103582106
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
3-bromo-N-[1-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107335996
2-propan-2-yl-N-(1-pyridin-3-ylethyl)-1,3-benzoxazol-5-amine
CID 43745111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine (CID 115917264) is 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is Cc1nc2cc(NC(C)c3cncs3)ccc2o1.
What is the InChIKey of 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
The InChIKey is UJZBIXPNWYOQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8(13-6-14-7-18-13)15-10-3-4-12-11(5-10)16-9(2)17-12/h3-8,15H,1-2H3.
What are the key properties of 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine?
2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine has a molecular weight of 259.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 115917264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).