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

C14H14F3N3OS — CID 117090693

IUPACN-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H14F3N3OS/c1-2-7-18-12(21)11-8-19-13(22-11)20-10-5-3-9(4-6-10)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyDDYXQMBYVJWPEB-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.05
Rot. Bonds5

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

N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117090693) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117090693
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC NameN-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H14F3N3OS/c1-2-7-18-12(21)11-8-19-13(22-11)20-10-5-3-9(4-6-10)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,21)(H,19,20)
InChIKeyDDYXQMBYVJWPEB-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117090693) is N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is DDYXQMBYVJWPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-2-7-18-12(21)11-8-19-13(22-11)20-10-5-3-9(4-6-10)14(15,16)17/h3-6,8H,2,7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).