2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine

C13H24N2S2 — CID 82432132

IUPAC2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CSC(C)C)sc1C(C)(C)N
InChIInChI=1S/C13H24N2S2/c1-6-7-10-12(13(4,5)14)17-11(15-10)8-16-9(2)3/h9H,6-8,14H2,1-5H3
InChIKeyPVOSGONCXAFWFX-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.93
Rot. Bonds6

About 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82432132) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82432132
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC Name2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CSC(C)C)sc1C(C)(C)N
InChIInChI=1S/C13H24N2S2/c1-6-7-10-12(13(4,5)14)17-11(15-10)8-16-9(2)3/h9H,6-8,14H2,1-5H3
InChIKeyPVOSGONCXAFWFX-UHFFFAOYSA-N
XLogP3.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine (CID 82432132) is 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine is CCCc1nc(CSC(C)C)sc1C(C)(C)N.
What is the InChIKey of 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is PVOSGONCXAFWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-6-7-10-12(13(4,5)14)17-11(15-10)8-16-9(2)3/h9H,6-8,14H2,1-5H3.
What are the key properties of 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82432132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).