3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine

C13H14N2S — CID 116888902

IUPAC3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
SMILESNC1CC(c2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C13H14N2S/c14-11-6-10(7-11)12-8-16-13(15-12)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,14H2
InChIKeyZENKOFFCLVZABZ-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.01
Rot. Bonds2

About 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine

3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine (PubChem CID 116888902) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
PubChem CID116888902
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
SMILESNC1CC(c2csc(-c3ccccc3)n2)C1
InChIInChI=1S/C13H14N2S/c14-11-6-10(7-11)12-8-16-13(15-12)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,14H2
InChIKeyZENKOFFCLVZABZ-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 116888903
4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine
CID 116888872
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
2-phenyl-1,3-thiazol-4-ol
CID 568728
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
(2R,3S,5S)-2-(hydroxymethyl)-5-(2-phenyl-1,3-thiazol-4-yl)oxolan-3-ol
CID 102355154
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
CID 112690258
3-(4-cyclopropyl-1,3-thiazol-2-yl)benzoic acid
CID 63903085
4-(azetidin-3-ylmethylsulfanylmethyl)-2-phenyl-1,3-thiazole
CID 66290520
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893630

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
The IUPAC name of 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine (CID 116888902) is 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine is NC1CC(c2csc(-c3ccccc3)n2)C1.
What is the InChIKey of 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
The InChIKey is ZENKOFFCLVZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c14-11-6-10(7-11)12-8-16-13(15-12)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7,14H2.
What are the key properties of 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine?
3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine has a molecular weight of 230.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine is sourced from PubChem (CID 116888902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).