2-methylsulfanyl-1,3-oxazol-4-amine

C4H6N2OS — CID 117188944

IUPAC2-methylsulfanyl-1,3-oxazol-4-amine
SMILESCSc1nc(N)co1
InChIInChI=1S/C4H6N2OS/c1-8-4-6-3(5)2-7-4/h2H,5H2,1H3
InChIKeyODATWCZKOVFMBR-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.98
Rot. Bonds1

About 2-methylsulfanyl-1,3-oxazol-4-amine

2-methylsulfanyl-1,3-oxazol-4-amine (PubChem CID 117188944) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-methylsulfanyl-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-1,3-oxazol-4-amine
PubChem CID117188944
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name2-methylsulfanyl-1,3-oxazol-4-amine
SMILESCSc1nc(N)co1
InChIInChI=1S/C4H6N2OS/c1-8-4-6-3(5)2-7-4/h2H,5H2,1H3
InChIKeyODATWCZKOVFMBR-UHFFFAOYSA-N
XLogP0.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylsulfanylmethyl)-1,3-oxazol-4-amine
CID 117186769
(1S)-1-(2-methylsulfanyl-1,3-oxazol-4-yl)propan-1-amine;hydrochloride
CID 66727512
(4-amino-1,3-oxazol-2-yl)methanethiol
CID 117186793
5-deuterio-2-methylsulfanyl-1,3-oxazole
CID 10582774
2-(trifluoromethyl)-1,3-oxazol-4-amine
CID 156595636
(2-methylsulfanyl-1,3-oxazol-4-yl)-naphthalen-2-ylmethanol
CID 44574368
6-(1,3-oxazol-2-ylsulfanyl)-2-propan-2-ylpyrimidin-4-amine
CID 106928339
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
2-fluoro-4-methylsulfanyl-1,3,5-triazine
CID 54014626
2-(3-chloropropylsulfanyl)-4-methyl-1,3-oxazole
CID 106920998

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,3-oxazol-4-amine?
The IUPAC name of 2-methylsulfanyl-1,3-oxazol-4-amine (CID 117188944) is 2-methylsulfanyl-1,3-oxazol-4-amine.
What is the SMILES notation for 2-methylsulfanyl-1,3-oxazol-4-amine?
The canonical SMILES for 2-methylsulfanyl-1,3-oxazol-4-amine is CSc1nc(N)co1.
What is the InChIKey of 2-methylsulfanyl-1,3-oxazol-4-amine?
The InChIKey is ODATWCZKOVFMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c1-8-4-6-3(5)2-7-4/h2H,5H2,1H3.
What are the key properties of 2-methylsulfanyl-1,3-oxazol-4-amine?
2-methylsulfanyl-1,3-oxazol-4-amine has a molecular weight of 130.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,3-oxazol-4-amine is sourced from PubChem (CID 117188944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).