N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine

C23H20FN3S — CID 67537630

IUPACN-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)s1
InChIInChI=1S/C23H20FN3S/c1-2-21-27-22(17-8-10-19(24)11-9-17)23(28-21)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,25,26)
InChIKeyBCDWDRBRASINDZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.19
Rot. Bonds6

About N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine

N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine (PubChem CID 67537630) has the molecular formula C23H20FN3S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
PubChem CID67537630
Molecular FormulaC23H20FN3S
Molecular Weight389.50 g/mol
Exact Mass389.14
IUPAC NameN-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)s1
InChIInChI=1S/C23H20FN3S/c1-2-21-27-22(17-8-10-19(24)11-9-17)23(28-21)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,25,26)
InChIKeyBCDWDRBRASINDZ-UHFFFAOYSA-N
XLogP6.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine (CID 67537630) is N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine is CCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccc3)c2)s1.
What is the InChIKey of N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
The InChIKey is BCDWDRBRASINDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3S/c1-2-21-27-22(17-8-10-19(24)11-9-17)23(28-21)18-12-13-25-20(14-18)26-15-16-6-4-3-5-7-16/h3-14H,2,15H2,1H3,(H,25,26).
What are the key properties of N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine?
N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine has a molecular weight of 389.50 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 67537630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).