2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide

C14H14F3N3OS — CID 71998039

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ncc(CNc2ccccc2C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C14H14F3N3OS/c1-9-18-6-10(22-9)7-19-12-5-3-2-4-11(12)13(21)20-8-14(15,16)17/h2-6,19H,7-8H2,1H3,(H,20,21)
InChIKeySERDUUBCKZWNQM-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.36
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide

2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71998039) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71998039
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ncc(CNc2ccccc2C(=O)NCC(F)(F)F)s1
InChIInChI=1S/C14H14F3N3OS/c1-9-18-6-10(22-9)7-19-12-5-3-2-4-11(12)13(21)20-8-14(15,16)17/h2-6,19H,7-8H2,1H3,(H,20,21)
InChIKeySERDUUBCKZWNQM-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 71998039) is 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ncc(CNc2ccccc2C(=O)NCC(F)(F)F)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SERDUUBCKZWNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-9-18-6-10(22-9)7-19-12-5-3-2-4-11(12)13(21)20-8-14(15,16)17/h2-6,19H,7-8H2,1H3,(H,20,21).
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 329.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71998039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).