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

C18H14F3N3OS — CID 117090361

IUPACN-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)13-6-8-14(9-7-13)24-17-23-11-15(26-17)16(25)22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,25)(H,23,24)
InChIKeyVOZCELJBOJXSSP-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.84
Rot. Bonds5

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

N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117090361) has the molecular formula C18H14F3N3OS and a molecular weight of 377.39 g/mol. Its IUPAC name is N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117090361
Molecular FormulaC18H14F3N3OS
Molecular Weight377.39 g/mol
Exact Mass377.08
IUPAC NameN-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C18H14F3N3OS/c19-18(20,21)13-6-8-14(9-7-13)24-17-23-11-15(26-17)16(25)22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,25)(H,23,24)
InChIKeyVOZCELJBOJXSSP-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117090361) is N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is O=C(NCc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is VOZCELJBOJXSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3OS/c19-18(20,21)13-6-8-14(9-7-13)24-17-23-11-15(26-17)16(25)22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,25)(H,23,24).
What are the key properties of N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).