6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

C14H14ClF3N2S — CID 102715652

IUPAC6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(C)Nc2cc(C(F)(F)F)cc(Cl)n2)c(C)s1
InChIInChI=1S/C14H14ClF3N2S/c1-7-4-11(9(3)21-7)8(2)19-13-6-10(14(16,17)18)5-12(15)20-13/h4-6,8H,1-3H3,(H,19,20)
InChIKeyDDPDNIWYDCUALX-UHFFFAOYSA-N
MW334.79 g/mol
LogP5.61
Rot. Bonds3

About 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine

6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102715652) has the molecular formula C14H14ClF3N2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102715652
Molecular FormulaC14H14ClF3N2S
Molecular Weight334.79 g/mol
Exact Mass334.05
IUPAC Name6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc(C(C)Nc2cc(C(F)(F)F)cc(Cl)n2)c(C)s1
InChIInChI=1S/C14H14ClF3N2S/c1-7-4-11(9(3)21-7)8(2)19-13-6-10(14(16,17)18)5-12(15)20-13/h4-6,8H,1-3H3,(H,19,20)
InChIKeyDDPDNIWYDCUALX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541349
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 54965289
N-[1-(4-bromophenyl)ethyl]-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 102715658
6-chloro-N-pentan-2-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102715439
4-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112726778
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974893
2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511592
6-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767901
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102715652) is 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is Cc1cc(C(C)Nc2cc(C(F)(F)F)cc(Cl)n2)c(C)s1.
What is the InChIKey of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DDPDNIWYDCUALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2S/c1-7-4-11(9(3)21-7)8(2)19-13-6-10(14(16,17)18)5-12(15)20-13/h4-6,8H,1-3H3,(H,19,20).
What are the key properties of 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(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 6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102715652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).