N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

C14H17F3N4O2S2 — CID 7594908

IUPACN-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)Nc1nnc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)s1
InChIInChI=1S/C14H17F3N4O2S2/c1-9(2)18-12-19-20-13(25-12)24-7-11(22)21(8-14(15,16)17)6-10-4-3-5-23-10/h3-5,9H,6-8H2,1-2H3,(H,18,19)
InChIKeyLYCLBSAXAGTGMS-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.63
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 7594908) has the molecular formula C14H17F3N4O2S2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID7594908
Molecular FormulaC14H17F3N4O2S2
Molecular Weight394.44 g/mol
Exact Mass394.07
IUPAC NameN-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)Nc1nnc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)s1
InChIInChI=1S/C14H17F3N4O2S2/c1-9(2)18-12-19-20-13(25-12)24-7-11(22)21(8-14(15,16)17)6-10-4-3-5-23-10/h3-5,9H,6-8H2,1-2H3,(H,18,19)
InChIKeyLYCLBSAXAGTGMS-UHFFFAOYSA-N
XLogP3.63
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 7190957
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 650676
N-Furan-2-ylmethyl-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655043
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 655995
N1-(furan-2-ylmethyl)-N4-(5-methyl-1,3,4-thiadiazol-2-yl)succinamide
CID 664184
2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-furanylmethyl)acetamide
CID 2350751
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 3212952
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 7190975
N-(5-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 7191220
N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 7191297
2-(4-fluorophenyl)-N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 7191386
2,6-difluoro-N-[5-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 8483011

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 7594908) is N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)Nc1nnc(SCC(=O)N(Cc2ccco2)CC(F)(F)F)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LYCLBSAXAGTGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S2/c1-9(2)18-12-19-20-13(25-12)24-7-11(22)21(8-14(15,16)17)6-10-4-3-5-23-10/h3-5,9H,6-8H2,1-2H3,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide?
N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 394.44 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 7594908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).