2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide

C20H19F2N3O2S2 — CID 155027694

IUPAC2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSNC(=O)c1nc(N(Cc2ccccc2)c2ccc(OC(F)F)cc2)sc1C
InChIInChI=1S/C20H19F2N3O2S2/c1-13-17(18(26)24-28-2)23-20(29-13)25(12-14-6-4-3-5-7-14)15-8-10-16(11-9-15)27-19(21)22/h3-11,19H,12H2,1-2H3,(H,24,26)
InChIKeyRUYXXQDDIABEEI-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.40
Rot. Bonds8

About 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide

2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 155027694) has the molecular formula C20H19F2N3O2S2 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
PubChem CID155027694
Molecular FormulaC20H19F2N3O2S2
Molecular Weight435.52 g/mol
Exact Mass435.09
IUPAC Name2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSNC(=O)c1nc(N(Cc2ccccc2)c2ccc(OC(F)F)cc2)sc1C
InChIInChI=1S/C20H19F2N3O2S2/c1-13-17(18(26)24-28-2)23-20(29-13)25(12-14-6-4-3-5-7-14)15-8-10-16(11-9-15)27-19(21)22/h3-11,19H,12H2,1-2H3,(H,24,26)
InChIKeyRUYXXQDDIABEEI-UHFFFAOYSA-N
XLogP5.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-cyano-N-[[4-(1-methoxypropan-2-yloxy)phenyl]methyl]anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 145326567
2-[4-cyano-N-[[4-(trifluoromethoxy)phenyl]methyl]anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 155027698
[[2-[4-cyano-N-[[4-(difluoromethoxy)phenyl]methyl]anilino]-5-methyl-1,3-thiazole-4-carbonyl]amino]methanesulfinic acid
CID 174914938
2-(N-benzyl-2-chloroanilino)-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 155027673
2-(N-benzyl-4-cyanoanilino)-N-[(3-chlorophenyl)methylsulfanyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 155027928
2-[N-(1,3-benzodioxol-5-ylmethyl)-4-cyanoanilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 145326691
2-[4-cyano-N-[2-(2-fluorophenyl)ethyl]anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 155027834
2-[4-cyano-N-[(2,3,5-trifluorophenyl)methyl]anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 145326794
2-(N-benzyl-4-cyanoanilino)-N-cyclopropylsulfonyl-5-methyl-1,3-thiazole-4-carboxamide
CID 129235929
2-(N-benzyl-4-cyanoanilino)-5-methyl-N-methylsulfanyl-1,3-oxazole-4-carboxamide
CID 155028100
2-[4-cyano-N-[(3-propan-2-yloxyphenyl)methyl]anilino]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 129235840
2-[2-[4-(difluoromethoxy)phenyl]ethyl-[(4-fluorophenyl)methyl]amino]-5-methyl-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 129235880

Frequently Asked Questions

What is the IUPAC name of 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide (CID 155027694) is 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide is CSNC(=O)c1nc(N(Cc2ccccc2)c2ccc(OC(F)F)cc2)sc1C.
What is the InChIKey of 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is RUYXXQDDIABEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2S2/c1-13-17(18(26)24-28-2)23-20(29-13)25(12-14-6-4-3-5-7-14)15-8-10-16(11-9-15)27-19(21)22/h3-11,19H,12H2,1-2H3,(H,24,26).
What are the key properties of 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide?
2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-benzyl-4-(difluoromethoxy)anilino]-5-methyl-N-methylsulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155027694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).