1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine

C10H18N2S2 — CID 115901615

IUPAC1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCCC(CSC)NC(C)c1cncs1
InChIInChI=1S/C10H18N2S2/c1-4-9(6-13-3)12-8(2)10-5-11-7-14-10/h5,7-9,12H,4,6H2,1-3H3
InChIKeyWABRVZBCAQULLV-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.94
Rot. Bonds6

About 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine

1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine (PubChem CID 115901615) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
PubChem CID115901615
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCCC(CSC)NC(C)c1cncs1
InChIInChI=1S/C10H18N2S2/c1-4-9(6-13-3)12-8(2)10-5-11-7-14-10/h5,7-9,12H,4,6H2,1-3H3
InChIKeyWABRVZBCAQULLV-UHFFFAOYSA-N
XLogP2.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine (CID 115901615) is 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine is CCC(CSC)NC(C)c1cncs1.
What is the InChIKey of 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
The InChIKey is WABRVZBCAQULLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-4-9(6-13-3)12-8(2)10-5-11-7-14-10/h5,7-9,12H,4,6H2,1-3H3.
What are the key properties of 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine?
1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]butan-2-amine is sourced from PubChem (CID 115901615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).