N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide

C17H15FN4OS — CID 75477442

IUPACN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)/N=c2\sccn2Cc2ccccc2F)nc(C)n1
InChIInChI=1S/C17H15FN4OS/c1-11-9-15(20-12(2)19-11)16(23)21-17-22(7-8-24-17)10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3/b21-17-
InChIKeyTZYZXTZUMOFQRP-FXBPSFAMSA-N
MW342.40 g/mol
LogP2.88
Rot. Bonds3

About N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 75477442) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID75477442
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)/N=c2\sccn2Cc2ccccc2F)nc(C)n1
InChIInChI=1S/C17H15FN4OS/c1-11-9-15(20-12(2)19-11)16(23)21-17-22(7-8-24-17)10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3/b21-17-
InChIKeyTZYZXTZUMOFQRP-FXBPSFAMSA-N
XLogP2.88
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3,5-dinitrobenzamide
CID 27676586
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]furan-3-carboxamide
CID 38274326
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-methyl-3-sulfamoylbenzamide
CID 78845259
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-pyrazol-1-ylpropanamide
CID 134048931
N-[2-[[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl]-3-methylbenzamide
CID 38274070
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974498
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38274587
2-(cyclopropylmethylamino)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 119822782
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]oxane-4-carboxamide
CID 38273891
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
2-[(4-bromophenyl)methylsulfonyl]-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
CID 112827187
1-(cyclopropanecarbonyl)-N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]piperidine-4-carboxamide
CID 38273564

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide (CID 75477442) is N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)/N=c2\sccn2Cc2ccccc2F)nc(C)n1.
What is the InChIKey of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is TZYZXTZUMOFQRP-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-11-9-15(20-12(2)19-11)16(23)21-17-22(7-8-24-17)10-13-5-3-4-6-14(13)18/h3-9H,10H2,1-2H3/b21-17-.
What are the key properties of N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide?
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 75477442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).