N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline

C16H20N2S — CID 103561673

IUPACN-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCC(C)C1CC(Nc2cccc(-c3nccs3)c2)C1
InChIInChI=1S/C16H20N2S/c1-11(2)13-9-15(10-13)18-14-5-3-4-12(8-14)16-17-6-7-19-16/h3-8,11,13,15,18H,9-10H2,1-2H3
InChIKeyYTUOPXUDGHKJKR-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.66
Rot. Bonds4

About N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline

N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline (PubChem CID 103561673) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
PubChem CID103561673
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCC(C)C1CC(Nc2cccc(-c3nccs3)c2)C1
InChIInChI=1S/C16H20N2S/c1-11(2)13-9-15(10-13)18-14-5-3-4-12(8-14)16-17-6-7-19-16/h3-8,11,13,15,18H,9-10H2,1-2H3
InChIKeyYTUOPXUDGHKJKR-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 63453258
N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
CID 54864565
1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine
CID 60935054
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine
CID 79957399
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 79835492
N-heptan-4-yl-3-(1,3-thiazol-2-yl)aniline
CID 55193873
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
2-(3-propan-2-ylphenyl)-1,3-thiazole
CID 22945701
N-hexan-2-yl-3-(1,3-thiazol-2-yl)aniline
CID 54864648

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline (CID 103561673) is N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline is CC(C)C1CC(Nc2cccc(-c3nccs3)c2)C1.
What is the InChIKey of N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is YTUOPXUDGHKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-11(2)13-9-15(10-13)18-14-5-3-4-12(8-14)16-17-6-7-19-16/h3-8,11,13,15,18H,9-10H2,1-2H3.
What are the key properties of N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline?
N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 272.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 103561673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).