1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine

C15H18N2S2 — CID 106850289

IUPAC1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESCCSc1ccc(-c2nc(C3(N)CCC3)cs2)cc1
InChIInChI=1S/C15H18N2S2/c1-2-18-12-6-4-11(5-7-12)14-17-13(10-19-14)15(16)8-3-9-15/h4-7,10H,2-3,8-9,16H2,1H3
InChIKeyXZXVFJPDZKVROZ-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.26
Rot. Bonds4

About 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine

1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine (PubChem CID 106850289) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
PubChem CID106850289
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESCCSc1ccc(-c2nc(C3(N)CCC3)cs2)cc1
InChIInChI=1S/C15H18N2S2/c1-2-18-12-6-4-11(5-7-12)14-17-13(10-19-14)15(16)8-3-9-15/h4-7,10H,2-3,8-9,16H2,1H3
InChIKeyXZXVFJPDZKVROZ-UHFFFAOYSA-N
XLogP4.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892116
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 106849859
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615
methyl 2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 106847709
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
CID 116891657
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953
1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine
CID 113461169
3-(4-ethylsulfanylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 98019570
[2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983842
ethyl 4-(1-aminocyclobutyl)-1,3-thiazole-2-carboxylate
CID 70793451
2-(bromomethyl)-4-(4-ethylsulfanylphenyl)-1,3-thiazole
CID 116970338
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 106847559

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The IUPAC name of 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine (CID 106850289) is 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine is CCSc1ccc(-c2nc(C3(N)CCC3)cs2)cc1.
What is the InChIKey of 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The InChIKey is XZXVFJPDZKVROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-2-18-12-6-4-11(5-7-12)14-17-13(10-19-14)15(16)8-3-9-15/h4-7,10H,2-3,8-9,16H2,1H3.
What are the key properties of 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine has a molecular weight of 290.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 106850289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).