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

C11H22N2S2 — CID 114985799

IUPAC(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSCCC(C)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C11H22N2S2/c1-8(2)10-7-15-11(13-10)12-9(3)5-6-14-4/h8-10H,5-7H2,1-4H3,(H,12,13)/t9?,10-/m1/s1
InChIKeyLKTAPYZTEAZXBO-QVDQXJPCSA-N
MW246.44 g/mol
LogP2.85
Rot. Bonds5

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

(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114985799) has the molecular formula C11H22N2S2 and a molecular weight of 246.44 g/mol. Its IUPAC name is (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114985799
Molecular FormulaC11H22N2S2
Molecular Weight246.44 g/mol
Exact Mass246.12
IUPAC Name(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCSCCC(C)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C11H22N2S2/c1-8(2)10-7-15-11(13-10)12-9(3)5-6-14-4/h8-10H,5-7H2,1-4H3,(H,12,13)/t9?,10-/m1/s1
InChIKeyLKTAPYZTEAZXBO-QVDQXJPCSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114985799) is (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CSCCC(C)NC1=N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LKTAPYZTEAZXBO-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2S2/c1-8(2)10-7-15-11(13-10)12-9(3)5-6-14-4/h8-10H,5-7H2,1-4H3,(H,12,13)/t9?,10-/m1/s1.
What are the key properties of (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 246.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-methylsulfanylbutan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114985799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).