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

C10H19N3S — CID 82674177

IUPAC2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CNCCN1C1=NCCS1
InChIInChI=1S/C10H19N3S/c1-8(2)9-7-11-3-5-13(9)10-12-4-6-14-10/h8-9,11H,3-7H2,1-2H3
InChIKeyICYKYKGMHBIGGA-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.02
Rot. Bonds1

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

2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 82674177) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID82674177
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CNCCN1C1=NCCS1
InChIInChI=1S/C10H19N3S/c1-8(2)9-7-11-3-5-13(9)10-12-4-6-14-10/h8-9,11H,3-7H2,1-2H3
InChIKeyICYKYKGMHBIGGA-UHFFFAOYSA-N
XLogP1.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole
CID 82669209
1-(3,4-dichlorophenyl)-2-propan-2-ylpiperazine
CID 64936711
2-propan-2-yl-1-(3,4,5-trifluorophenyl)piperazine
CID 64930921
1-(4-methylsulfanylphenyl)-2-propan-2-ylpiperazine
CID 64937086
1-(2-iodophenyl)-2-propan-2-ylpiperazine
CID 64932087
2-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64938811
1-(2,5-dibromophenyl)-2-propan-2-ylpiperazine
CID 64931294
1-(2-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64938034
(2R)-2-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 96947194
5-(2-propan-2-ylpiperazin-1-yl)quinoline
CID 64937273
1-(4-bromo-2-chlorophenyl)-2-propan-2-ylpiperazine
CID 64932285
1-(2,4-dimethoxyphenyl)-2-propan-2-ylpiperazine
CID 64938228

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole (CID 82674177) is 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole is CC(C)C1CNCCN1C1=NCCS1.
What is the InChIKey of 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is ICYKYKGMHBIGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)9-7-11-3-5-13(9)10-12-4-6-14-10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpiperazin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 82674177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).