4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole

C14H19N3S2 — CID 55202759

IUPAC4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C(C)N3CCNCC3)n2)s1
InChIInChI=1S/C14H19N3S2/c1-10-3-4-13(19-10)12-9-18-14(16-12)11(2)17-7-5-15-6-8-17/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeySXRBARRZNDDDRK-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.15
Rot. Bonds3

About 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole

4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 55202759) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID55202759
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C(C)N3CCNCC3)n2)s1
InChIInChI=1S/C14H19N3S2/c1-10-3-4-13(19-10)12-9-18-14(16-12)11(2)17-7-5-15-6-8-17/h3-4,9,11,15H,5-8H2,1-2H3
InChIKeySXRBARRZNDDDRK-UHFFFAOYSA-N
XLogP3.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole (CID 55202759) is 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole is Cc1ccc(-c2csc(C(C)N3CCNCC3)n2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is SXRBARRZNDDDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-10-3-4-13(19-10)12-9-18-14(16-12)11(2)17-7-5-15-6-8-17/h3-4,9,11,15H,5-8H2,1-2H3.
What are the key properties of 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 293.46 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 55202759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).