N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine

C9H14N2OS — CID 127001473

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
SMILESCc1cnc(C(C)NC2CSC2)o1
InChIInChI=1S/C9H14N2OS/c1-6-3-10-9(12-6)7(2)11-8-4-13-5-8/h3,7-8,11H,4-5H2,1-2H3
InChIKeySJISSYQFGJVDCY-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.75
Rot. Bonds3

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine (PubChem CID 127001473) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
PubChem CID127001473
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
SMILESCc1cnc(C(C)NC2CSC2)o1
InChIInChI=1S/C9H14N2OS/c1-6-3-10-9(12-6)7(2)11-8-4-13-5-8/h3,7-8,11H,4-5H2,1-2H3
InChIKeySJISSYQFGJVDCY-UHFFFAOYSA-N
XLogP1.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-4-amine
CID 103893746
1-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclobutane-1,3-diamine
CID 106387939
3-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]cyclopentane-1,3-diamine
CID 106387997
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]adamantan-2-amine
CID 106388064
1-cyclopropyl-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-3-amine
CID 113365420
2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine
CID 106387930
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
CID 130610885
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidine-2,5-dione
CID 106388110
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]thietan-3-amine
CID 130621345
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
CID 103893726
N,N-dimethyl-2-[4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 104773415
1-cyclopropyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiourea
CID 103946435

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine (CID 127001473) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine is Cc1cnc(C(C)NC2CSC2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine?
The InChIKey is SJISSYQFGJVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-3-10-9(12-6)7(2)11-8-4-13-5-8/h3,7-8,11H,4-5H2,1-2H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine is sourced from PubChem (CID 127001473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).