3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C14H14ClF3N2S — CID 63541349

IUPAC3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(C)Nc2ncc(C(F)(F)F)cc2Cl)c(C)s1
InChIInChI=1S/C14H14ClF3N2S/c1-7-4-11(9(3)21-7)8(2)20-13-12(15)5-10(6-19-13)14(16,17)18/h4-6,8H,1-3H3,(H,19,20)
InChIKeySESCYBDLPZQDTO-UHFFFAOYSA-N
MW334.79 g/mol
LogP5.61
Rot. Bonds3

About 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 63541349) has the molecular formula C14H14ClF3N2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID63541349
Molecular FormulaC14H14ClF3N2S
Molecular Weight334.79 g/mol
Exact Mass334.05
IUPAC Name3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(C)Nc2ncc(C(F)(F)F)cc2Cl)c(C)s1
InChIInChI=1S/C14H14ClF3N2S/c1-7-4-11(9(3)21-7)8(2)20-13-12(15)5-10(6-19-13)14(16,17)18/h4-6,8H,1-3H3,(H,19,20)
InChIKeySESCYBDLPZQDTO-UHFFFAOYSA-N
XLogP5.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.79
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541342
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715652
3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 115681182
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
5-bromo-2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 79072973
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
3-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 106354539
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 63541349) is 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cc(C(C)Nc2ncc(C(F)(F)F)cc2Cl)c(C)s1.
What is the InChIKey of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SESCYBDLPZQDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2S/c1-7-4-11(9(3)21-7)8(2)20-13-12(15)5-10(6-19-13)14(16,17)18/h4-6,8H,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 334.79 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63541349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).