N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide

C16H14F3N5O2S — CID 35524442

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)o1
InChIInChI=1S/C16H14F3N5O2S/c1-8-6-12(16(17,18)19)23-24(8)7-10-4-5-11(26-10)13(25)20-15-22-21-14(27-15)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,20,22,25)
InChIKeyKVRHBOOQBCHFNY-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.83
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 35524442) has the molecular formula C16H14F3N5O2S and a molecular weight of 397.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
PubChem CID35524442
Molecular FormulaC16H14F3N5O2S
Molecular Weight397.38 g/mol
Exact Mass397.08
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)o1
InChIInChI=1S/C16H14F3N5O2S/c1-8-6-12(16(17,18)19)23-24(8)7-10-4-5-11(26-10)13(25)20-15-22-21-14(27-15)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,20,22,25)
InChIKeyKVRHBOOQBCHFNY-UHFFFAOYSA-N
XLogP3.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide (CID 35524442) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is Cc1cc(C(F)(F)F)nn1Cc1ccc(C(=O)Nc2nnc(C3CC3)s2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is KVRHBOOQBCHFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2S/c1-8-6-12(16(17,18)19)23-24(8)7-10-4-5-11(26-10)13(25)20-15-22-21-14(27-15)9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,20,22,25).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 397.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 35524442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).