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

C11H22N2S — CID 79245944

IUPAC(4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C11H22N2S/c1-5-9(6-2)12-11-13-10(7-14-11)8(3)4/h8-10H,5-7H2,1-4H3,(H,12,13)/t10-/m1/s1
InChIKeyMZQJLDRZJSLOIE-SNVBAGLBSA-N
MW214.38 g/mol
LogP2.89
Rot. Bonds4

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

(4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79245944) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79245944
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name(4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C11H22N2S/c1-5-9(6-2)12-11-13-10(7-14-11)8(3)4/h8-10H,5-7H2,1-4H3,(H,12,13)/t10-/m1/s1
InChIKeyMZQJLDRZJSLOIE-SNVBAGLBSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79245944) is (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)NC1=N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MZQJLDRZJSLOIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22N2S/c1-5-9(6-2)12-11-13-10(7-14-11)8(3)4/h8-10H,5-7H2,1-4H3,(H,12,13)/t10-/m1/s1.
What are the key properties of (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79245944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).