4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole

C12H15N3S2 — CID 39365213

IUPAC4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2nc(CN3CCNCC3)cs2)c1
InChIInChI=1S/C12H15N3S2/c1-2-11(16-7-1)12-14-10(9-17-12)8-15-5-3-13-4-6-15/h1-2,7,9,13H,3-6,8H2
InChIKeyBITNVOYPAWZRQZ-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.28
Rot. Bonds3

About 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole

4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 39365213) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID39365213
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2nc(CN3CCNCC3)cs2)c1
InChIInChI=1S/C12H15N3S2/c1-2-11(16-7-1)12-14-10(9-17-12)8-15-5-3-13-4-6-15/h1-2,7,9,13H,3-6,8H2
InChIKeyBITNVOYPAWZRQZ-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole (CID 39365213) is 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole is c1csc(-c2nc(CN3CCNCC3)cs2)c1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is BITNVOYPAWZRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-2-11(16-7-1)12-14-10(9-17-12)8-15-5-3-13-4-6-15/h1-2,7,9,13H,3-6,8H2.
What are the key properties of 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole?
4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 265.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 39365213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).