4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole

C16H23N3S2 — CID 56794019

IUPAC4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(CCc2cccs2)CC1
InChIInChI=1S/C16H23N3S2/c1-14-16(21-13-17-14)5-7-19-10-8-18(9-11-19)6-4-15-3-2-12-20-15/h2-3,12-13H,4-11H2,1H3
InChIKeyVBKHNBADCANFLN-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.92
Rot. Bonds6

About 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole

4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 56794019) has the molecular formula C16H23N3S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID56794019
Molecular FormulaC16H23N3S2
Molecular Weight321.51 g/mol
Exact Mass321.13
IUPAC Name4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCc1ncsc1CCN1CCN(CCc2cccs2)CC1
InChIInChI=1S/C16H23N3S2/c1-14-16(21-13-17-14)5-7-19-10-8-18(9-11-19)6-4-15-3-2-12-20-15/h2-3,12-13H,4-11H2,1H3
InChIKeyVBKHNBADCANFLN-UHFFFAOYSA-N
XLogP2.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 56794019) is 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole is Cc1ncsc1CCN1CCN(CCc2cccs2)CC1.
What is the InChIKey of 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is VBKHNBADCANFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S2/c1-14-16(21-13-17-14)5-7-19-10-8-18(9-11-19)6-4-15-3-2-12-20-15/h2-3,12-13H,4-11H2,1H3.
What are the key properties of 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole?
4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 321.51 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 56794019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).