N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline

C16H20N2S — CID 80705391

IUPACN-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCC1(C)CCC(Nc2ccc(-c3nccs3)cc2)C1
InChIInChI=1S/C16H20N2S/c1-16(2)8-7-14(11-16)18-13-5-3-12(4-6-13)15-17-9-10-19-15/h3-6,9-10,14,18H,7-8,11H2,1-2H3
InChIKeyYPZMCOQCVXSJST-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.80
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline

N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 80705391) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID80705391
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCC1(C)CCC(Nc2ccc(-c3nccs3)cc2)C1
InChIInChI=1S/C16H20N2S/c1-16(2)8-7-14(11-16)18-13-5-3-12(4-6-13)15-17-9-10-19-15/h3-6,9-10,14,18H,7-8,11H2,1-2H3
InChIKeyYPZMCOQCVXSJST-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
CID 54861949
N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
CID 54862523
N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline
CID 63448733
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol
CID 112633777
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60928321
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
5-[4-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,2-dihydropyrazol-3-one
CID 80705724
N-(3,3-dimethylcyclopentyl)-2-methoxypyridin-4-amine
CID 114547998
N-(3,3-dimethylcyclopentyl)-4-(2-methoxyethoxy)aniline
CID 80705000
N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 79835492
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline (CID 80705391) is N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline is CC1(C)CCC(Nc2ccc(-c3nccs3)cc2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is YPZMCOQCVXSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-16(2)8-7-14(11-16)18-13-5-3-12(4-6-13)15-17-9-10-19-15/h3-6,9-10,14,18H,7-8,11H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline?
N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 272.42 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 80705391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).