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

C13H26N2S2 — CID 114168388

IUPACN-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)CCSC)S1
InChIInChI=1S/C13H26N2S2/c1-5-11(6-2)12-9-14-13(17-12)15-10(3)7-8-16-4/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyOHKKKFMSSDCNEI-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.63
Rot. Bonds7

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

N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114168388) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114168388
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NC(C)CCSC)S1
InChIInChI=1S/C13H26N2S2/c1-5-11(6-2)12-9-14-13(17-12)15-10(3)7-8-16-4/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyOHKKKFMSSDCNEI-UHFFFAOYSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114168388) is N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NC(C)CCSC)S1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OHKKKFMSSDCNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S2/c1-5-11(6-2)12-9-14-13(17-12)15-10(3)7-8-16-4/h10-12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 274.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114168388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).