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

C14H18N2S2 — CID 106850249

IUPAC1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C14H18N2S2/c1-3-11(15)8-12-9-18-14(16-12)10-4-6-13(17-2)7-5-10/h4-7,9,11H,3,8,15H2,1-2H3
InChIKeyCTGKQMWOEWTFOI-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.81
Rot. Bonds5

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

1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine (PubChem CID 106850249) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine
PubChem CID106850249
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC Name1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1csc(-c2ccc(SC)cc2)n1
InChIInChI=1S/C14H18N2S2/c1-3-11(15)8-12-9-18-14(16-12)10-4-6-13(17-2)7-5-10/h4-7,9,11H,3,8,15H2,1-2H3
InChIKeyCTGKQMWOEWTFOI-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]pentan-2-amine
CID 106850261
4-(methoxymethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazole
CID 107511959
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527011
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-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
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
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine (CID 106850249) is 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine is CCC(N)Cc1csc(-c2ccc(SC)cc2)n1.
What is the InChIKey of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
The InChIKey is CTGKQMWOEWTFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-3-11(15)8-12-9-18-14(16-12)10-4-6-13(17-2)7-5-10/h4-7,9,11H,3,8,15H2,1-2H3.
What are the key properties of 1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine?
1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]butan-2-amine has a molecular weight of 278.45 g/mol, XLogP of 3.81, 5 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]butan-2-amine is sourced from PubChem (CID 106850249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).