2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole

C8H15N3S — CID 82669209

IUPAC2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1CNCCN1C1=NCCS1
InChIInChI=1S/C8H15N3S/c1-7-6-9-2-4-11(7)8-10-3-5-12-8/h7,9H,2-6H2,1H3
InChIKeyUOCAHIUAUXNVAW-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.38
Rot. Bonds

About 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole

2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 82669209) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID82669209
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC1CNCCN1C1=NCCS1
InChIInChI=1S/C8H15N3S/c1-7-6-9-2-4-11(7)8-10-3-5-12-8/h7,9H,2-6H2,1H3
InChIKeyUOCAHIUAUXNVAW-UHFFFAOYSA-N
XLogP0.38
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
CID 82674177
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
2-(2-methylpiperazin-1-yl)-1,3-thiazole;hydrochloride
CID 71639519
2-chloro-4-[(2S)-2-methylpiperazin-1-yl]pyrimidine
CID 86329375
2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782
4,6-dichloro-5-methyl-2-(2-methylpiperazin-1-yl)pyrimidine
CID 57212261
5-bromo-4-(2-methylpiperazin-1-yl)pyrimidine
CID 66340193
3-cyclopropyl-5-(2-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65275780
(5S)-5-methyl-4-[(2S)-2-methylpiperazin-1-yl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 67459798
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
3,4-dimethyl-5-(2-methylpiperazin-1-yl)-1,2-oxazole
CID 82670180
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole (CID 82669209) is 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole is CC1CNCCN1C1=NCCS1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is UOCAHIUAUXNVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-7-6-9-2-4-11(7)8-10-3-5-12-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 185.30 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 82669209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).