N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine

C13H12N2OS — CID 62842604

IUPACN-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
SMILESCC(Nc1nc2ccccc2o1)c1ccsc1
InChIInChI=1S/C13H12N2OS/c1-9(10-6-7-17-8-10)14-13-15-11-4-2-3-5-12(11)16-13/h2-9H,1H3,(H,14,15)
InChIKeyMQLWEYAOKVCERB-UHFFFAOYSA-N
MW244.32 g/mol
LogP4.06
Rot. Bonds3

About N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine

N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine (PubChem CID 62842604) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
PubChem CID62842604
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine
SMILESCC(Nc1nc2ccccc2o1)c1ccsc1
InChIInChI=1S/C13H12N2OS/c1-9(10-6-7-17-8-10)14-13-15-11-4-2-3-5-12(11)16-13/h2-9H,1H3,(H,14,15)
InChIKeyMQLWEYAOKVCERB-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-1,3-benzoxazol-2-amine
CID 112697262
2-[phenyl(thiophen-3-yl)methyl]-1,3-benzoxazole
CID 177462064
3-methyl-N-(1-thiophen-3-ylethyl)quinolin-2-amine
CID 63229433
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
5-(1-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957574
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-1,3-benzoxazol-2-amine
CID 34002400
4-(1-thiophen-3-ylethylamino)quinazoline-2-carboxylic acid
CID 63868698
5-(2-chloroethyl)-N-(1-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106957575
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine (CID 62842604) is N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine is CC(Nc1nc2ccccc2o1)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine?
The InChIKey is MQLWEYAOKVCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9(10-6-7-17-8-10)14-13-15-11-4-2-3-5-12(11)16-13/h2-9H,1H3,(H,14,15).
What are the key properties of N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine?
N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine has a molecular weight of 244.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 62842604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).