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

C19H13FN4OS2 — CID 75466812

IUPAC2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1csc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H13FN4OS2/c20-14-5-3-12(4-6-14)8-17-22-16(11-26-17)18(25)24-19-23-15(10-27-19)13-2-1-7-21-9-13/h1-7,9-11H,8H2,(H,23,24,25)
InChIKeyCENJKQBNTIDHSA-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.64
Rot. Bonds5

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

2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 75466812) has the molecular formula C19H13FN4OS2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID75466812
Molecular FormulaC19H13FN4OS2
Molecular Weight396.47 g/mol
Exact Mass396.05
IUPAC Name2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1csc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C19H13FN4OS2/c20-14-5-3-12(4-6-14)8-17-22-16(11-26-17)18(25)24-19-23-15(10-27-19)13-2-1-7-21-9-13/h1-7,9-11H,8H2,(H,23,24,25)
InChIKeyCENJKQBNTIDHSA-UHFFFAOYSA-N
XLogP4.64
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 18127545
2-(4-bromothiophen-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55929545
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
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CID 36771348
2,4-dichloro-5-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
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N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
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4-(4-fluorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 78875156
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 75466812) is 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)c1csc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CENJKQBNTIDHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4OS2/c20-14-5-3-12(4-6-14)8-17-22-16(11-26-17)18(25)24-19-23-15(10-27-19)13-2-1-7-21-9-13/h1-7,9-11H,8H2,(H,23,24,25).
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75466812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).