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

C14H12F3N3OS — CID 117090454

IUPACN-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)8-1-3-10(4-2-8)20-13-18-7-11(22-13)12(21)19-9-5-6-9/h1-4,7,9H,5-6H2,(H,18,20)(H,19,21)
InChIKeySDNPSVUJEZNPKR-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.80
Rot. Bonds4

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

N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117090454) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117090454
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC NameN-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)8-1-3-10(4-2-8)20-13-18-7-11(22-13)12(21)19-9-5-6-9/h1-4,7,9H,5-6H2,(H,18,20)(H,19,21)
InChIKeySDNPSVUJEZNPKR-UHFFFAOYSA-N
XLogP3.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117090454) is N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is O=C(NC1CC1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is SDNPSVUJEZNPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c15-14(16,17)8-1-3-10(4-2-8)20-13-18-7-11(22-13)12(21)19-9-5-6-9/h1-4,7,9H,5-6H2,(H,18,20)(H,19,21).
What are the key properties of N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).