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

C11H20N2S2 — CID 82432070

IUPAC2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CSC)sc1C(C)(C)N
InChIInChI=1S/C11H20N2S2/c1-5-6-8-10(11(2,3)12)15-9(13-8)7-14-4/h5-7,12H2,1-4H3
InChIKeyCLSNGLFZVGFCEW-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.15
Rot. Bonds5

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

2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82432070) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82432070
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCCc1nc(CSC)sc1C(C)(C)N
InChIInChI=1S/C11H20N2S2/c1-5-6-8-10(11(2,3)12)15-9(13-8)7-14-4/h5-7,12H2,1-4H3
InChIKeyCLSNGLFZVGFCEW-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132
1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82432080
2-[4-propyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82433136
2-[2-[2-(azepan-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82433222
2-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)propan-2-amine
CID 82432448
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82432074
2-[2-[(4-fluorophenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82431968
2-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430651
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
2-[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82430776
2-(2-benzyl-4-propyl-1,3-thiazol-5-yl)propan-2-ol
CID 82431478

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine (CID 82432070) is 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine is CCCc1nc(CSC)sc1C(C)(C)N.
What is the InChIKey of 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is CLSNGLFZVGFCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-5-6-8-10(11(2,3)12)15-9(13-8)7-14-4/h5-7,12H2,1-4H3.
What are the key properties of 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 244.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82432070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).