4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine

C16H14ClN3S — CID 118709511

IUPAC4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C16H14ClN3S/c1-2-18-15-9-12(7-8-19-15)16-20-14(10-21-16)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3,(H,18,19)
InChIKeyCMUQXFFWYNXWLO-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.96
Rot. Bonds4

About 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine (PubChem CID 118709511) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine
PubChem CID118709511
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1
InChIInChI=1S/C16H14ClN3S/c1-2-18-15-9-12(7-8-19-15)16-20-14(10-21-16)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3,(H,18,19)
InChIKeyCMUQXFFWYNXWLO-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine (CID 118709511) is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine is CCNc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)ccn1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine?
The InChIKey is CMUQXFFWYNXWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c1-2-18-15-9-12(7-8-19-15)16-20-14(10-21-16)11-3-5-13(17)6-4-11/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine?
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine has a molecular weight of 315.83 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 118709511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).