[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone

C18H18N4OS2 — CID 53172793

IUPAC[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1csc(-c2ccc(N3CCN(C(=O)c4ccsc4)CC3)nc2)n1
InChIInChI=1S/C18H18N4OS2/c1-13-11-25-17(20-13)14-2-3-16(19-10-14)21-5-7-22(8-6-21)18(23)15-4-9-24-12-15/h2-4,9-12H,5-8H2,1H3
InChIKeyZVWXAJCGVJUPQT-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.54
Rot. Bonds3

About [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone

[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53172793) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID53172793
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1csc(-c2ccc(N3CCN(C(=O)c4ccsc4)CC3)nc2)n1
InChIInChI=1S/C18H18N4OS2/c1-13-11-25-17(20-13)14-2-3-16(19-10-14)21-5-7-22(8-6-21)18(23)15-4-9-24-12-15/h2-4,9-12H,5-8H2,1H3
InChIKeyZVWXAJCGVJUPQT-UHFFFAOYSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone (CID 53172793) is [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone is Cc1csc(-c2ccc(N3CCN(C(=O)c4ccsc4)CC3)nc2)n1.
What is the InChIKey of [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is ZVWXAJCGVJUPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-13-11-25-17(20-13)14-2-3-16(19-10-14)21-5-7-22(8-6-21)18(23)15-4-9-24-12-15/h2-4,9-12H,5-8H2,1H3.
What are the key properties of [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone?
[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 370.50 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53172793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).