4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C18H15F3N4O2S2 — CID 154857502

IUPAC4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc(NC(=O)c2scnc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O2S2/c1-9-14(28-7-23-9)16(26)22-6-11-3-12(18(19,20)21)5-13(4-11)25-17(27)15-10(2)24-8-29-15/h3-5,7-8H,6H2,1-2H3,(H,22,26)(H,25,27)
InChIKeyLSFHWLRHYGJDQC-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.42
Rot. Bonds5

About 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 154857502) has the molecular formula C18H15F3N4O2S2 and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID154857502
Molecular FormulaC18H15F3N4O2S2
Molecular Weight440.47 g/mol
Exact Mass440.06
IUPAC Name4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1cc(NC(=O)c2scnc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N4O2S2/c1-9-14(28-7-23-9)16(26)22-6-11-3-12(18(19,20)21)5-13(4-11)25-17(27)15-10(2)24-8-29-15/h3-5,7-8H,6H2,1-2H3,(H,22,26)(H,25,27)
InChIKeyLSFHWLRHYGJDQC-UHFFFAOYSA-N
XLogP4.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
N-[(4-aminophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60891064
N-[[4-(aminomethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81090222
N-[3-(ethylaminomethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43601238
N-[(4-bromothiophen-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47291490
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51121198
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168769

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 154857502) is 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1cc(NC(=O)c2scnc2C)cc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is LSFHWLRHYGJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S2/c1-9-14(28-7-23-9)16(26)22-6-11-3-12(18(19,20)21)5-13(4-11)25-17(27)15-10(2)24-8-29-15/h3-5,7-8H,6H2,1-2H3,(H,22,26)(H,25,27).
What are the key properties of 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154857502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).