N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline

C14H16N2S — CID 54864565

IUPACN-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
SMILESc1cc(NC2CCCC2)cc(-c2nccs2)c1
InChIInChI=1S/C14H16N2S/c1-2-6-12(5-1)16-13-7-3-4-11(10-13)14-15-8-9-17-14/h3-4,7-10,12,16H,1-2,5-6H2
InChIKeyGBTQPOORXCUXMR-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.16
Rot. Bonds3

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

N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline (PubChem CID 54864565) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
PubChem CID54864565
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN-cyclopentyl-3-(1,3-thiazol-2-yl)aniline
SMILESc1cc(NC2CCCC2)cc(-c2nccs2)c1
InChIInChI=1S/C14H16N2S/c1-2-6-12(5-1)16-13-7-3-4-11(10-13)14-15-8-9-17-14/h3-4,7-10,12,16H,1-2,5-6H2
InChIKeyGBTQPOORXCUXMR-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]thian-4-amine
CID 60935054
N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 63453258
N-(3-propan-2-ylcyclobutyl)-3-(1,3-thiazol-2-yl)aniline
CID 103561673
N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
CID 79835492
N-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
CID 54861949
2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]thian-3-amine
CID 79957399
ethane;N-methyl-3-(1,3-thiazol-2-yl)aniline
CID 143181511
(2R)-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119399855
1-[(3R)-thian-3-yl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 96528063
N-cyclopentyl-6-(1,3-thiazol-2-yl)-1H-benzimidazol-2-amine
CID 82563289
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936185
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline (CID 54864565) is N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline is c1cc(NC2CCCC2)cc(-c2nccs2)c1.
What is the InChIKey of N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is GBTQPOORXCUXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-6-12(5-1)16-13-7-3-4-11(10-13)14-15-8-9-17-14/h3-4,7-10,12,16H,1-2,5-6H2.
What are the key properties of N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline?
N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 244.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 54864565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).