4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine

C18H14FN5S — CID 133371154

IUPAC4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCc3cccnc3-n3cccn3)n2)cc1
InChIInChI=1S/C18H14FN5S/c19-15-6-4-13(5-7-15)16-12-25-18(23-16)21-11-14-3-1-8-20-17(14)24-10-2-9-22-24/h1-10,12H,11H2,(H,21,23)
InChIKeyPXNMHPOLUATXNP-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.14
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine (PubChem CID 133371154) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine
PubChem CID133371154
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCc3cccnc3-n3cccn3)n2)cc1
InChIInChI=1S/C18H14FN5S/c19-15-6-4-13(5-7-15)16-12-25-18(23-16)21-11-14-3-1-8-20-17(14)24-10-2-9-22-24/h1-10,12H,11H2,(H,21,23)
InChIKeyPXNMHPOLUATXNP-UHFFFAOYSA-N
XLogP4.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577342
N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 99697962
4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133449438
4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133371519
1-(2-pyrazol-1-yl-3-pyridinyl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 47052375
4-fluoro-2-[[(2-pyrazol-1-yl-3-pyridinyl)amino]methyl]phenol
CID 107694361
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 133372541
N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133372575
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133371109
N-benzyl-4-(5-fluoro-3-pyridinyl)-1,3-thiazol-2-amine
CID 130556959

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine (CID 133371154) is 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NCc3cccnc3-n3cccn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PXNMHPOLUATXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c19-15-6-4-13(5-7-15)16-12-25-18(23-16)21-11-14-3-1-8-20-17(14)24-10-2-9-22-24/h1-10,12H,11H2,(H,21,23).
What are the key properties of 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 351.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133371154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).