4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H14F3N3O2S2 — CID 167902727

IUPAC4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(C(=O)c2cc3sccc3s2)CC1
InChIInChI=1S/C14H14F3N3O2S2/c15-14(16,17)8-18-13(22)20-4-2-19(3-5-20)12(21)11-7-10-9(24-11)1-6-23-10/h1,6-7H,2-5,8H2,(H,18,22)
InChIKeyPEXIHPFTEJWCRT-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.99
Rot. Bonds2

About 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 167902727) has the molecular formula C14H14F3N3O2S2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID167902727
Molecular FormulaC14H14F3N3O2S2
Molecular Weight377.41 g/mol
Exact Mass377.05
IUPAC Name4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCN(C(=O)c2cc3sccc3s2)CC1
InChIInChI=1S/C14H14F3N3O2S2/c15-14(16,17)8-18-13(22)20-4-2-19(3-5-20)12(21)11-7-10-9(24-11)1-6-23-10/h1,6-7H,2-5,8H2,(H,18,22)
InChIKeyPEXIHPFTEJWCRT-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 167902727) is 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is O=C(NCC(F)(F)F)N1CCN(C(=O)c2cc3sccc3s2)CC1.
What is the InChIKey of 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is PEXIHPFTEJWCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S2/c15-14(16,17)8-18-13(22)20-4-2-19(3-5-20)12(21)11-7-10-9(24-11)1-6-23-10/h1,6-7H,2-5,8H2,(H,18,22).
What are the key properties of 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thieno[3,2-b]thiophene-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 167902727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).