2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole

C12H15N3S2 — CID 2468150

IUPAC2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole
SMILESCN1CCN(c2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C12H15N3S2/c1-14-4-6-15(7-5-14)12-13-10(9-17-12)11-3-2-8-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyRBDUXCOZGSVXEU-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.62
Rot. Bonds2

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

2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole (PubChem CID 2468150) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole
PubChem CID2468150
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole
SMILESCN1CCN(c2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C12H15N3S2/c1-14-4-6-15(7-5-14)12-13-10(9-17-12)11-3-2-8-16-11/h2-3,8-9H,4-7H2,1H3
InChIKeyRBDUXCOZGSVXEU-UHFFFAOYSA-N
XLogP2.62
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Thienyl)-1,3-thiazol-2-amine
CID 243973
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}-1lambda~6~,4-thiazinane-1,1-dione
CID 2738462
4-{[2-(2-Thienyl)-1,3-thiazol-4-yl]methyl}thiomorpholine
CID 2813472
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490756
4-(4-Phenyl-1,3-thiazol-2-yl)thiomorpholine
CID 1490776
4-(5-Methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 2063929
4-(4-Thiophen-3-yl-1,3-thiazol-2-yl)morpholine
CID 118310054
(6-Methyl-pyridin-2-yl)-(4-thiophen-2-yl-thiazol-2-yl)-amine
CID 973018
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2158847
4-(5-Chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 2456635
2-(4-Methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole;hydrobromide
CID 16196337
N-[5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
CID 57392815

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole (CID 2468150) is 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole is CN1CCN(c2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is RBDUXCOZGSVXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-14-4-6-15(7-5-14)12-13-10(9-17-12)11-3-2-8-16-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole?
2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 265.41 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 2468150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).