2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H14F3N5O3S — CID 27209893

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)12-19-20-13(26-12)18-10(23)8-21-3-5-22(6-4-21)11(24)9-2-1-7-25-9/h1-2,7H,3-6,8H2,(H,18,20,23)
InChIKeyKOMGPDRBWVHXTE-UHFFFAOYSA-N
MW389.36 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 27209893) has the molecular formula C14H14F3N5O3S and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID27209893
Molecular FormulaC14H14F3N5O3S
Molecular Weight389.36 g/mol
Exact Mass389.08
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)12-19-20-13(26-12)18-10(23)8-21-3-5-22(6-4-21)11(24)9-2-1-7-25-9/h1-2,7H,3-6,8H2,(H,18,20,23)
InChIKeyKOMGPDRBWVHXTE-UHFFFAOYSA-N
XLogP1.55
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 27209893) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KOMGPDRBWVHXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O3S/c15-14(16,17)12-19-20-13(26-12)18-10(23)8-21-3-5-22(6-4-21)11(24)9-2-1-7-25-9/h1-2,7H,3-6,8H2,(H,18,20,23).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 389.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 27209893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).