2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole

C15H17N3S2 — CID 68532199

IUPAC2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(C#CCN2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H17N3S2/c1-13-11-14(20-12-13)3-2-5-17-6-8-18(9-7-17)15-16-4-10-19-15/h4,10-12H,5-9H2,1H3
InChIKeyZHUJKFIMKDOUSP-UHFFFAOYSA-N
MW303.46 g/mol
LogP2.69
Rot. Bonds2

About 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole

2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 68532199) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
PubChem CID68532199
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(C#CCN2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C15H17N3S2/c1-13-11-14(20-12-13)3-2-5-17-6-8-18(9-7-17)15-16-4-10-19-15/h4,10-12H,5-9H2,1H3
InChIKeyZHUJKFIMKDOUSP-UHFFFAOYSA-N
XLogP2.69
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(4-fluoro-3-methylphenyl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
CID 68530558
2-[4-[3-(2,4-difluorophenyl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
CID 68528637
2-[4-[3-(3-phenylphenyl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole
CID 68530712
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 106313009
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[3-methyl-4-[3-(3-methylphenyl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole;hydrochloride
CID 68533517
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
2-ethoxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 63067892

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole (CID 68532199) is 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole is Cc1csc(C#CCN2CCN(c3nccs3)CC2)c1.
What is the InChIKey of 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is ZHUJKFIMKDOUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-13-11-14(20-12-13)3-2-5-17-6-8-18(9-7-17)15-16-4-10-19-15/h4,10-12H,5-9H2,1H3.
What are the key properties of 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 303.46 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylthiophen-2-yl)prop-2-ynyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 68532199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).