4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one

C14H22N4OS2 — CID 71976345

IUPAC4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN1CCN(C2=NCC(C)S2)CC1
InChIInChI=1S/C14H22N4OS2/c1-11-10-20-14(19)18(11)8-5-16-3-6-17(7-4-16)13-15-9-12(2)21-13/h10,12H,3-9H2,1-2H3
InChIKeyQECMJQKCGUSHQL-UHFFFAOYSA-N
MW326.49 g/mol
LogP1.33
Rot. Bonds3

About 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one (PubChem CID 71976345) has the molecular formula C14H22N4OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one
PubChem CID71976345
Molecular FormulaC14H22N4OS2
Molecular Weight326.49 g/mol
Exact Mass326.12
IUPAC Name4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN1CCN(C2=NCC(C)S2)CC1
InChIInChI=1S/C14H22N4OS2/c1-11-10-20-14(19)18(11)8-5-16-3-6-17(7-4-16)13-15-9-12(2)21-13/h10,12H,3-9H2,1-2H3
InChIKeyQECMJQKCGUSHQL-UHFFFAOYSA-N
XLogP1.33
TPSA40.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one (CID 71976345) is 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCN1CCN(C2=NCC(C)S2)CC1.
What is the InChIKey of 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one?
The InChIKey is QECMJQKCGUSHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS2/c1-11-10-20-14(19)18(11)8-5-16-3-6-17(7-4-16)13-15-9-12(2)21-13/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one has a molecular weight of 326.49 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 71976345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).