1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine

C15H20N2S2 — CID 106850261

IUPAC1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine
SMILESCCCC(N)Cc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C15H20N2S2/c1-3-4-12(16)9-13-10-19-15(17-13)11-5-7-14(18-2)8-6-11/h5-8,10,12H,3-4,9,16H2,1-2H3
InChIKeyWFZBAHCLBIXJIO-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.20
Rot. Bonds6

About 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine

1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine (PubChem CID 106850261) has the molecular formula C15H20N2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine
PubChem CID106850261
Molecular FormulaC15H20N2S2
Molecular Weight292.47 g/mol
Exact Mass292.11
IUPAC Name1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine
SMILESCCCC(N)Cc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C15H20N2S2/c1-3-4-12(16)9-13-10-19-15(17-13)11-5-7-14(18-2)8-6-11/h5-8,10,12H,3-4,9,16H2,1-2H3
InChIKeyWFZBAHCLBIXJIO-UHFFFAOYSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine
CID 106850249
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
N-[1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545116
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527011
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
(1R)-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565672
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
CID 116888207
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 106849859
2-[(2-phenyl-1,3-thiazol-4-yl)methyl]nonanamide
CID 175903171

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine?
The IUPAC name of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine (CID 106850261) is 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine.
What is the SMILES notation for 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine?
The canonical SMILES for 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine is CCCC(N)Cc1csc(-c2ccc(SC)cc2)n1.
What is the InChIKey of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine?
The InChIKey is WFZBAHCLBIXJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S2/c1-3-4-12(16)9-13-10-19-15(17-13)11-5-7-14(18-2)8-6-11/h5-8,10,12H,3-4,9,16H2,1-2H3.
What are the key properties of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine?
1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine is sourced from PubChem (CID 106850261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).