[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C18H22N4O2S2 — CID 18138952

IUPAC[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(C(=O)N2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C18H22N4O2S2/c23-16(21-8-10-22(11-9-21)18-19-5-13-26-18)14-3-6-20(7-4-14)17(24)15-2-1-12-25-15/h1-2,5,12-14H,3-4,6-11H2
InChIKeySHVOUKSJLOIFCF-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.41
Rot. Bonds3

About [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 18138952) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID18138952
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccs1)N1CCC(C(=O)N2CCN(c3nccs3)CC2)CC1
InChIInChI=1S/C18H22N4O2S2/c23-16(21-8-10-22(11-9-21)18-19-5-13-26-18)14-3-6-20(7-4-14)17(24)15-2-1-12-25-15/h1-2,5,12-14H,3-4,6-11H2
InChIKeySHVOUKSJLOIFCF-UHFFFAOYSA-N
XLogP2.41
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 18138952) is [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is O=C(c1cccs1)N1CCC(C(=O)N2CCN(c3nccs3)CC2)CC1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is SHVOUKSJLOIFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c23-16(21-8-10-22(11-9-21)18-19-5-13-26-18)14-3-6-20(7-4-14)17(24)15-2-1-12-25-15/h1-2,5,12-14H,3-4,6-11H2.
What are the key properties of [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 18138952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).