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

C12H20N2OS — CID 106387930

IUPAC2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine
SMILESCc1cnc(C(C)NC2CCCSC2C)o1
InChIInChI=1S/C12H20N2OS/c1-8-7-13-12(15-8)9(2)14-11-5-4-6-16-10(11)3/h7,9-11,14H,4-6H2,1-3H3
InChIKeyACJMVZQIUSJAJW-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.92
Rot. Bonds3

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

2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine (PubChem CID 106387930) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine
PubChem CID106387930
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine
SMILESCc1cnc(C(C)NC2CCCSC2C)o1
InChIInChI=1S/C12H20N2OS/c1-8-7-13-12(15-8)9(2)14-11-5-4-6-16-10(11)3/h7,9-11,14H,4-6H2,1-3H3
InChIKeyACJMVZQIUSJAJW-UHFFFAOYSA-N
XLogP2.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thietan-3-amine
CID 127001473
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
1-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-4-amine
CID 103893746
2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
CID 81398612
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-[(1R)-1-(4-bromophenyl)ethyl]-2-methylthian-3-amine
CID 81353696
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]adamantan-2-amine
CID 106388064
N-[1-(3,4-dichlorophenyl)ethyl]-2-methylthian-3-amine
CID 79957805
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140
1-cyclopropyl-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-3-amine
CID 113365420
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
CID 103893726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine?
The IUPAC name of 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine (CID 106387930) is 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine?
The canonical SMILES for 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine is Cc1cnc(C(C)NC2CCCSC2C)o1.
What is the InChIKey of 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine?
The InChIKey is ACJMVZQIUSJAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8-7-13-12(15-8)9(2)14-11-5-4-6-16-10(11)3/h7,9-11,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine?
2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine has a molecular weight of 240.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thian-3-amine is sourced from PubChem (CID 106387930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).