N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide

C19H18FN3O3S2 — CID 16944816

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H18FN3O3S2/c1-12-3-9-16(10-4-12)28(25,26)23-19-22-13(2)17(27-19)18(24)21-11-14-5-7-15(20)8-6-14/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOEOASWHIDRKRKX-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.63
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16944816) has the molecular formula C19H18FN3O3S2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
PubChem CID16944816
Molecular FormulaC19H18FN3O3S2
Molecular Weight419.50 g/mol
Exact Mass419.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H18FN3O3S2/c1-12-3-9-16(10-4-12)28(25,26)23-19-22-13(2)17(27-19)18(24)21-11-14-5-7-15(20)8-6-14/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOEOASWHIDRKRKX-UHFFFAOYSA-N
XLogP3.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944521
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 16944617
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 16944802
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
1-[(4-fluorophenyl)methyl]-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea
CID 20972630

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide (CID 16944816) is N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is OEOASWHIDRKRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S2/c1-12-3-9-16(10-4-12)28(25,26)23-19-22-13(2)17(27-19)18(24)21-11-14-5-7-15(20)8-6-14/h3-10H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).