2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole

C9H17N3S — CID 138756773

IUPAC2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole
SMILESCC1NC=C(CN2CCNCC2)S1
InChIInChI=1S/C9H17N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,8,10-11H,2-5,7H2,1H3
InChIKeyKYJMNDURQWQGFD-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.42
Rot. Bonds2

About 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole

2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole (PubChem CID 138756773) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole
PubChem CID138756773
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole
SMILESCC1NC=C(CN2CCNCC2)S1
InChIInChI=1S/C9H17N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,8,10-11H,2-5,7H2,1H3
InChIKeyKYJMNDURQWQGFD-UHFFFAOYSA-N
XLogP0.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Methylpiperazin-1-yl)methylidene]-1,3-thiazolidine
CID 140976461
N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 62574529
N-[2-(2,6-dimethylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 64120053
(E)-N-(2-thiomorpholin-4-ylethyl)but-2-en-1-amine
CID 106325116
2-methyl-N-(2-thiomorpholin-4-ylethyl)prop-2-en-1-amine
CID 106325435
2-(4-methylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427519
N-[2-(2-methylthiomorpholin-4-yl)ethyl]prop-2-en-1-amine
CID 116321188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole (CID 138756773) is 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole is CC1NC=C(CN2CCNCC2)S1.
What is the InChIKey of 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is KYJMNDURQWQGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-8-11-6-9(13-8)7-12-4-2-10-3-5-12/h6,8,10-11H,2-5,7H2,1H3.
What are the key properties of 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole?
2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 199.32 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 138756773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).