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

C13H13N3OS — CID 112697262

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESCc1cnc(C(C)Nc2nc3ccccc3o2)s1
InChIInChI=1S/C13H13N3OS/c1-8-7-14-12(18-8)9(2)15-13-16-10-5-3-4-6-11(10)17-13/h3-7,9H,1-2H3,(H,15,16)
InChIKeyCDCYPPYMJYQNRR-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.77
Rot. Bonds3

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine (PubChem CID 112697262) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
PubChem CID112697262
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
SMILESCc1cnc(C(C)Nc2nc3ccccc3o2)s1
InChIInChI=1S/C13H13N3OS/c1-8-7-14-12(18-8)9(2)15-13-16-10-5-3-4-6-11(10)17-13/h3-7,9H,1-2H3,(H,15,16)
InChIKeyCDCYPPYMJYQNRR-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-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]quinolin-2-amine
CID 115681209
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
CID 62842604
2-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazole-2,5-diamine
CID 103437286
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 34002400
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,3-benzoxazol-2-amine
CID 71892003
6-chloro-2,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 113387490
N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,3-benzoxazol-2-amine
CID 97260630
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-(2,5-dimethylpyrrol-1-yl)-1,3-benzoxazol-2-amine
CID 79106270

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine (CID 112697262) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine is Cc1cnc(C(C)Nc2nc3ccccc3o2)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is CDCYPPYMJYQNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-7-14-12(18-8)9(2)15-13-16-10-5-3-4-6-11(10)17-13/h3-7,9H,1-2H3,(H,15,16).
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-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 N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 112697262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).