3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline

C14H16N2S — CID 116888849

IUPAC3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline
SMILESCNc1cccc(-c2csc(C3CCC3)n2)c1
InChIInChI=1S/C14H16N2S/c1-15-12-7-3-6-11(8-12)13-9-17-14(16-13)10-4-2-5-10/h3,6-10,15H,2,4-5H2,1H3
InChIKeyJKSXOKCMQQURHL-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.12
Rot. Bonds3

About 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline

3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline (PubChem CID 116888849) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline.

Molecular Properties

Compound Name3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline
PubChem CID116888849
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline
SMILESCNc1cccc(-c2csc(C3CCC3)n2)c1
InChIInChI=1S/C14H16N2S/c1-15-12-7-3-6-11(8-12)13-9-17-14(16-13)10-4-2-5-10/h3,6-10,15H,2,4-5H2,1H3
InChIKeyJKSXOKCMQQURHL-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cycloheptyl-1,3-thiazol-4-yl)benzoic acid
CID 65399902
3-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-methylaniline
CID 116893570
[4-(2-cyclobutyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 64986273
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4-[4-(3-bromophenyl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966608
3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline
CID 116968523
4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558221
4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazole;chloride;hydrochloride
CID 44664830
4-(3-bromophenyl)-2-(1-ethylpiperidin-1-ium-4-yl)-1,3-thiazole
CID 1390058
4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 67322897
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline?
The IUPAC name of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline (CID 116888849) is 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline.
What is the SMILES notation for 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline?
The canonical SMILES for 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline is CNc1cccc(-c2csc(C3CCC3)n2)c1.
What is the InChIKey of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline?
The InChIKey is JKSXOKCMQQURHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-15-12-7-3-6-11(8-12)13-9-17-14(16-13)10-4-2-5-10/h3,6-10,15H,2,4-5H2,1H3.
What are the key properties of 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline?
3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline has a molecular weight of 244.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyl-1,3-thiazol-4-yl)-N-methylaniline is sourced from PubChem (CID 116888849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).