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

C18H14FN5S — CID 90842696

IUPAC4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccccn3)n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5S/c1-12-15(10-21-24(12)14-7-5-13(19)6-8-14)16-11-25-18(22-16)23-17-4-2-3-9-20-17/h2-11H,1H3,(H,20,22,23)
InChIKeyCRMZCQLHNHQZPL-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.58
Rot. Bonds4

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

4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 90842696) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID90842696
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccccn3)n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H14FN5S/c1-12-15(10-21-24(12)14-7-5-13(19)6-8-14)16-11-25-18(22-16)23-17-4-2-3-9-20-17/h2-11H,1H3,(H,20,22,23)
InChIKeyCRMZCQLHNHQZPL-UHFFFAOYSA-N
XLogP4.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
mGluR4-PAM-1
CID 46836562
N-(4-Fluorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 667583
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
(4-(4-Fluorophenyl)(2,5-thiazolyl))-2-pyridylamine
CID 1092430
N,N-diethyl-N'-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 1502838
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 3157523
N-(4-(pyridin-4-yl)thiazol-2-yl)pyridin-2-amine
CID 704533
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine
CID 704601

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 90842696) is 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1c(-c2csc(Nc3ccccn3)n2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is CRMZCQLHNHQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-12-15(10-21-24(12)14-7-5-13(19)6-8-14)16-11-25-18(22-16)23-17-4-2-3-9-20-17/h2-11H,1H3,(H,20,22,23).
What are the key properties of 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 351.41 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 90842696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).