(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C14H22N2S2 — CID 79246281

IUPAC(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C(C)NC2=N[C@@H](C(C)C)CS2)c(C)s1
InChIInChI=1S/C14H22N2S2/c1-8(2)13-7-17-14(16-13)15-10(4)12-6-9(3)18-11(12)5/h6,8,10,13H,7H2,1-5H3,(H,15,16)/t10?,13-/m1/s1
InChIKeyJUAYNBAMOHLOAS-JLOHTSLTSA-N
MW282.48 g/mol
LogP4.14
Rot. Bonds3

About (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79246281) has the molecular formula C14H22N2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79246281
Molecular FormulaC14H22N2S2
Molecular Weight282.48 g/mol
Exact Mass282.12
IUPAC Name(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C(C)NC2=N[C@@H](C(C)C)CS2)c(C)s1
InChIInChI=1S/C14H22N2S2/c1-8(2)13-7-17-14(16-13)15-10(4)12-6-9(3)18-11(12)5/h6,8,10,13H,7H2,1-5H3,(H,15,16)/t10?,13-/m1/s1
InChIKeyJUAYNBAMOHLOAS-JLOHTSLTSA-N
XLogP4.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-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 (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79246281) is (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C(C)NC2=N[C@@H](C(C)C)CS2)c(C)s1.
What is the InChIKey of (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JUAYNBAMOHLOAS-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H22N2S2/c1-8(2)13-7-17-14(16-13)15-10(4)12-6-9(3)18-11(12)5/h6,8,10,13H,7H2,1-5H3,(H,15,16)/t10?,13-/m1/s1.
What are the key properties of (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 282.48 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79246281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).