N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide

C19H17F2N3O3S2 — CID 16944892

IUPACN-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3c(F)cccc3F)s2)cc1
InChIInChI=1S/C19H17F2N3O3S2/c1-11-6-8-13(9-7-11)29(26,27)24-19-23-12(2)17(28-19)18(25)22-10-14-15(20)4-3-5-16(14)21/h3-9H,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOERLREOBNBVYKR-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.77
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide

N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16944892) has the molecular formula C19H17F2N3O3S2 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
PubChem CID16944892
Molecular FormulaC19H17F2N3O3S2
Molecular Weight437.49 g/mol
Exact Mass437.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3c(F)cccc3F)s2)cc1
InChIInChI=1S/C19H17F2N3O3S2/c1-11-6-8-13(9-7-11)29(26,27)24-19-23-12(2)17(28-19)18(25)22-10-14-15(20)4-3-5-16(14)21/h3-9H,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyOERLREOBNBVYKR-UHFFFAOYSA-N
XLogP3.77
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide (CID 16944892) is N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NCc3c(F)cccc3F)s2)cc1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is OERLREOBNBVYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S2/c1-11-6-8-13(9-7-11)29(26,27)24-19-23-12(2)17(28-19)18(25)22-10-14-15(20)4-3-5-16(14)21/h3-9H,10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide?
N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).