5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole

C9H17N3S — CID 818281

IUPAC5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCNCC2)S1
InChIInChI=1S/C9H17N3S/c1-9(2)7-11-8(13-9)12-5-3-10-4-6-12/h10H,3-7H2,1-2H3
InChIKeyBKUDSGWZPKYESY-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.77
Rot. Bonds

About 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole

5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole (PubChem CID 818281) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole.

Molecular Properties

Compound Name5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole
PubChem CID818281
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole
SMILESCC1(C)CN=C(N2CCNCC2)S1
InChIInChI=1S/C9H17N3S/c1-9(2)7-11-8(13-9)12-5-3-10-4-6-12/h10H,3-7H2,1-2H3
InChIKeyBKUDSGWZPKYESY-UHFFFAOYSA-N
XLogP0.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole?
The IUPAC name of 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole (CID 818281) is 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole.
What is the SMILES notation for 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole?
The canonical SMILES for 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole is CC1(C)CN=C(N2CCNCC2)S1.
What is the InChIKey of 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole?
The InChIKey is BKUDSGWZPKYESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-9(2)7-11-8(13-9)12-5-3-10-4-6-12/h10H,3-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole?
5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole has a molecular weight of 199.32 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-piperazin-1-yl-4H-1,3-thiazole is sourced from PubChem (CID 818281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).