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

C19H14FN5OS — CID 177207511

IUPAC1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2ccn(-c3ccccc3F)n2)n1
InChIInChI=1S/C19H14FN5OS/c1-12-5-4-9-21-17(12)15-11-27-19(22-15)23-18(26)14-8-10-25(24-14)16-7-3-2-6-13(16)20/h2-11H,1H3,(H,22,23,26)
InChIKeyCWPKNKUIBFMIHZ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.09
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 177207511) has the molecular formula C19H14FN5OS and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
PubChem CID177207511
Molecular FormulaC19H14FN5OS
Molecular Weight379.42 g/mol
Exact Mass379.09
IUPAC Name1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
SMILESCc1cccnc1-c1csc(NC(=O)c2ccn(-c3ccccc3F)n2)n1
InChIInChI=1S/C19H14FN5OS/c1-12-5-4-9-21-17(12)15-11-27-19(22-15)23-18(26)14-8-10-25(24-14)16-7-3-2-6-13(16)20/h2-11H,1H3,(H,22,23,26)
InChIKeyCWPKNKUIBFMIHZ-UHFFFAOYSA-N
XLogP4.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 177207511) is 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is Cc1cccnc1-c1csc(NC(=O)c2ccn(-c3ccccc3F)n2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
The InChIKey is CWPKNKUIBFMIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS/c1-12-5-4-9-21-17(12)15-11-27-19(22-15)23-18(26)14-8-10-25(24-14)16-7-3-2-6-13(16)20/h2-11H,1H3,(H,22,23,26).
What are the key properties of 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 177207511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).