N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide

C7H7F3N2OS — CID 163295863

IUPACN-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide
SMILESCc1nc(C(F)(F)F)c(CNC=O)s1
InChIInChI=1S/C7H7F3N2OS/c1-4-12-6(7(8,9)10)5(14-4)2-11-3-13/h3H,2H2,1H3,(H,11,13)
InChIKeyMVZSBDRXVDXSLD-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.72
Rot. Bonds3

About N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide

N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide (PubChem CID 163295863) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide
PubChem CID163295863
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC NameN-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide
SMILESCc1nc(C(F)(F)F)c(CNC=O)s1
InChIInChI=1S/C7H7F3N2OS/c1-4-12-6(7(8,9)10)5(14-4)2-11-3-13/h3H,2H2,1H3,(H,11,13)
InChIKeyMVZSBDRXVDXSLD-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide?
The IUPAC name of N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide (CID 163295863) is N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide.
What is the SMILES notation for N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide?
The canonical SMILES for N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide is Cc1nc(C(F)(F)F)c(CNC=O)s1.
What is the InChIKey of N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide?
The InChIKey is MVZSBDRXVDXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c1-4-12-6(7(8,9)10)5(14-4)2-11-3-13/h3H,2H2,1H3,(H,11,13).
What are the key properties of N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide?
N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide has a molecular weight of 224.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]formamide is sourced from PubChem (CID 163295863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).