4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

C10H18N2S2 — CID 115899342

IUPAC4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CSC)Nc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S2/c1-5-9(6-13-4)12-10-11-7(2)8(3)14-10/h9H,5-6H2,1-4H3,(H,11,12)
InChIKeyAMBUQYAYRJMDPE-UHFFFAOYSA-N
MW230.40 g/mol
LogP3.31
Rot. Bonds5

About 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 115899342) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
PubChem CID115899342
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
SMILESCCC(CSC)Nc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2S2/c1-5-9(6-13-4)12-10-11-7(2)8(3)14-10/h9H,5-6H2,1-4H3,(H,11,12)
InChIKeyAMBUQYAYRJMDPE-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine (CID 115899342) is 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is CCC(CSC)Nc1nc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is AMBUQYAYRJMDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-5-9(6-13-4)12-10-11-7(2)8(3)14-10/h9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 230.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 115899342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).