[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone

C18H24N4OS2 — CID 53158542

IUPAC[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C18H24N4OS2/c23-17(15-4-11-24-13-15)21-7-9-22(10-8-21)18-19-16(14-25-18)12-20-5-2-1-3-6-20/h4,11,13-14H,1-3,5-10,12H2
InChIKeyGRJJDWLFJYMQLC-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.15
Rot. Bonds4

About [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53158542) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID53158542
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC Name[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C18H24N4OS2/c23-17(15-4-11-24-13-15)21-7-9-22(10-8-21)18-19-16(14-25-18)12-20-5-2-1-3-6-20/h4,11,13-14H,1-3,5-10,12H2
InChIKeyGRJJDWLFJYMQLC-UHFFFAOYSA-N
XLogP3.15
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 53158542) is [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1.
What is the InChIKey of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is GRJJDWLFJYMQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c23-17(15-4-11-24-13-15)21-7-9-22(10-8-21)18-19-16(14-25-18)12-20-5-2-1-3-6-20/h4,11,13-14H,1-3,5-10,12H2.
What are the key properties of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 376.55 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53158542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).