4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C19H18FN3OS — CID 145489087

IUPAC4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccc(F)cc3C)cc2)n1
InChIInChI=1S/C19H18FN3OS/c1-12-9-16(20)7-8-17(12)21-10-14-3-5-15(6-4-14)18(24)23-19-22-13(2)11-25-19/h3-9,11,21H,10H2,1-2H3,(H,22,23,24)
InChIKeyRQDFZCGMKVBWMI-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.76
Rot. Bonds5

About 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide

4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 145489087) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID145489087
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccc(F)cc3C)cc2)n1
InChIInChI=1S/C19H18FN3OS/c1-12-9-16(20)7-8-17(12)21-10-14-3-5-15(6-4-14)18(24)23-19-22-13(2)11-25-19/h3-9,11,21H,10H2,1-2H3,(H,22,23,24)
InChIKeyRQDFZCGMKVBWMI-UHFFFAOYSA-N
XLogP4.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 145489177
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
2-[2-[[4-[[2-(cyclohexylmethyl)-4-fluoroanilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 145489285
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
2-[2-[[4-[[2-(2-cyclopentylethyl)-4-fluoroanilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 145489224
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 41228449
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-[2-[[4-[[2-(4-fluorophenyl)anilino]methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 145489069
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 145489087) is 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2ccc(CNc3ccc(F)cc3C)cc2)n1.
What is the InChIKey of 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is RQDFZCGMKVBWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12-9-16(20)7-8-17(12)21-10-14-3-5-15(6-4-14)18(24)23-19-22-13(2)11-25-19/h3-9,11,21H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 145489087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).