1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine

C12H16N2OS2 — CID 66230325

IUPAC1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine
SMILESCCC(N)CSCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H16N2OS2/c1-2-9(13)7-16-8-10-6-15-12(14-10)11-4-3-5-17-11/h3-6,9H,2,7-8,13H2,1H3
InChIKeyYTVVKUWRNBVYMQ-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.37
Rot. Bonds6

About 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine

1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine (PubChem CID 66230325) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine
PubChem CID66230325
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine
SMILESCCC(N)CSCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H16N2OS2/c1-2-9(13)7-16-8-10-6-15-12(14-10)11-4-3-5-17-11/h3-6,9H,2,7-8,13H2,1H3
InChIKeyYTVVKUWRNBVYMQ-UHFFFAOYSA-N
XLogP3.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 17437492
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 103705810
4-bromo-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 79533714
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
2-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7816237
1-[4-butyl-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-dimethylpropan-1-amine
CID 112776556
4-propyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135763428
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 7625422
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
N-(4-propan-2-ylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7754374

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine?
The IUPAC name of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine (CID 66230325) is 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine.
What is the SMILES notation for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine?
The canonical SMILES for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine is CCC(N)CSCc1coc(-c2cccs2)n1.
What is the InChIKey of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine?
The InChIKey is YTVVKUWRNBVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-2-9(13)7-16-8-10-6-15-12(14-10)11-4-3-5-17-11/h3-6,9H,2,7-8,13H2,1H3.
What are the key properties of 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine?
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine has a molecular weight of 268.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine is sourced from PubChem (CID 66230325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).