5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C17H14FN3OS — CID 71709188

IUPAC5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccnc2)c(-c2cccc(F)c2)s1
InChIInChI=1S/C17H14FN3OS/c1-11-21-15(16(23-11)13-5-2-6-14(18)8-13)17(22)20-10-12-4-3-7-19-9-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeySLGVZFBDOGKXOO-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.58
Rot. Bonds4

About 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 71709188) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID71709188
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2cccnc2)c(-c2cccc(F)c2)s1
InChIInChI=1S/C17H14FN3OS/c1-11-21-15(16(23-11)13-5-2-6-14(18)8-13)17(22)20-10-12-4-3-7-19-9-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeySLGVZFBDOGKXOO-UHFFFAOYSA-N
XLogP3.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 166232023
5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 175651298
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
(2R)-2-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 31882488
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 71709188) is 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2cccnc2)c(-c2cccc(F)c2)s1.
What is the InChIKey of 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SLGVZFBDOGKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11-21-15(16(23-11)13-5-2-6-14(18)8-13)17(22)20-10-12-4-3-7-19-9-12/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71709188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).