2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole

C14H20N4S2 — CID 63751900

IUPAC2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(-c2csc(C(C)N3CCNCC3)n2)c(C)s1
InChIInChI=1S/C14H20N4S2/c1-9(18-6-4-15-5-7-18)14-17-12(8-19-14)13-10(2)20-11(3)16-13/h8-9,15H,4-7H2,1-3H3
InChIKeyCQINEKHMKUBTCO-UHFFFAOYSA-N
MW308.48 g/mol
LogP2.85
Rot. Bonds3

About 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole

2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 63751900) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID63751900
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(-c2csc(C(C)N3CCNCC3)n2)c(C)s1
InChIInChI=1S/C14H20N4S2/c1-9(18-6-4-15-5-7-18)14-17-12(8-19-14)13-10(2)20-11(3)16-13/h8-9,15H,4-7H2,1-3H3
InChIKeyCQINEKHMKUBTCO-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-Aminoethyl)-4-(1,3-thiazol-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 57267342
2,5-Dimethyl-4-(1,3-thiazol-4-yl)-1,3-thiazole
CID 130511793
4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-N,1-N,3-trimethylcyclohexa-1,5-diene-1,4-diamine
CID 153967960
4-[(2-Thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiomorpholin-4-ium
CID 6930963
4-(Piperazin-1-ylmethyl)-2-thiophen-2-yl-1,3-thiazole
CID 39365213
4-(5-Methylthiophen-2-yl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 55202759
2-(1-Piperazin-1-ylethyl)-4-thiophen-2-yl-1,3-thiazole
CID 55202761
N-[[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55222447
1-[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 55228429
1-[4-(2,5-Dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 55241943
1-[4-(2,5-Dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 55241944
N-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 55241946

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole (CID 63751900) is 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole is Cc1nc(-c2csc(C(C)N3CCNCC3)n2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is CQINEKHMKUBTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-9(18-6-4-15-5-7-18)14-17-12(8-19-14)13-10(2)20-11(3)16-13/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole?
2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 308.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-(1-piperazin-1-ylethyl)-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 63751900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).