3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile

C14H12ClFN2S — CID 107993002

IUPAC3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile
SMILESCCCc1c(-c2ccc(Cl)c(F)c2)sc(C#N)c1N
InChIInChI=1S/C14H12ClFN2S/c1-2-3-9-13(18)12(7-17)19-14(9)8-4-5-10(15)11(16)6-8/h4-6H,2-3,18H2,1H3
InChIKeyBWFMIEQUNHKPHZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.61
Rot. Bonds3

About 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile

3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile (PubChem CID 107993002) has the molecular formula C14H12ClFN2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile
PubChem CID107993002
Molecular FormulaC14H12ClFN2S
Molecular Weight294.78 g/mol
Exact Mass294.04
IUPAC Name3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile
SMILESCCCc1c(-c2ccc(Cl)c(F)c2)sc(C#N)c1N
InChIInChI=1S/C14H12ClFN2S/c1-2-3-9-13(18)12(7-17)19-14(9)8-4-5-10(15)11(16)6-8/h4-6H,2-3,18H2,1H3
InChIKeyBWFMIEQUNHKPHZ-UHFFFAOYSA-N
XLogP4.61
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-(4-chlorophenyl)-4-propylthiophene-2-carbonitrile
CID 79412475
3-amino-5-(3-chloro-2-fluorophenyl)-4-propylthiophene-2-carbonitrile
CID 81262905
3-amino-5-(2-fluoro-4-nitrophenyl)-4-propylthiophene-2-carbonitrile
CID 79411782
3-amino-4-propyl-5-thiophen-2-ylthiophene-2-carbonitrile
CID 79412369
3-amino-4-propyl-5-pyrimidin-2-ylthiophene-2-carbonitrile
CID 114552910
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
3-amino-5-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 82876042
3-amino-5-(2-methyl-6-nitrophenyl)-4-propylthiophene-2-carbonitrile
CID 79412233
2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 23179827
5-(4-chloro-3-fluorophenyl)-3-ethyl-2-propylimidazol-4-amine
CID 62219752
2-amino-4-(4-chloro-3-fluorophenyl)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 4636733
4-(4-chloro-3-fluorophenyl)aniline
CID 3265089

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile (CID 107993002) is 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile is CCCc1c(-c2ccc(Cl)c(F)c2)sc(C#N)c1N.
What is the InChIKey of 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile?
The InChIKey is BWFMIEQUNHKPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2S/c1-2-3-9-13(18)12(7-17)19-14(9)8-4-5-10(15)11(16)6-8/h4-6H,2-3,18H2,1H3.
What are the key properties of 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile?
3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile has a molecular weight of 294.78 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-chloro-3-fluorophenyl)-4-propylthiophene-2-carbonitrile is sourced from PubChem (CID 107993002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).