(2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine

C8H16N4S — CID 67279516

IUPAC(2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine
SMILESNCC1CSC(N2CCNCC2)=N1
InChIInChI=1S/C8H16N4S/c9-5-7-6-13-8(11-7)12-3-1-10-2-4-12/h7,10H,1-6,9H2
InChIKeySVNZWUXVXCEJGH-UHFFFAOYSA-N
MW200.31 g/mol
LogP-0.68
Rot. Bonds1

About (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine

(2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine (PubChem CID 67279516) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine
PubChem CID67279516
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name(2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine
SMILESNCC1CSC(N2CCNCC2)=N1
InChIInChI=1S/C8H16N4S/c9-5-7-6-13-8(11-7)12-3-1-10-2-4-12/h7,10H,1-6,9H2
InChIKeySVNZWUXVXCEJGH-UHFFFAOYSA-N
XLogP-0.68
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride
CID 54595408
4-(Piperazin-1-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 9877665
4-[(4-Methylpiperazin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 9877785
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-4-methylpiperazine;dihydrochloride
CID 20213257
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-4-methylpiperazine
CID 20213258
2-(Piperazin-1-yl)-4,5-dihydrothiazole
CID 68680839
1-cyclobutyl-4-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperazine
CID 134202138
ethane;ethyl N-ethylpiperazine-1-carboximidothioate
CID 143991147
1-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl]piperidine
CID 169004921
1-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]piperidine
CID 169004930
N-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-2-propanamine
CID 3614172

Frequently Asked Questions

What is the IUPAC name of (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine (CID 67279516) is (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine is NCC1CSC(N2CCNCC2)=N1.
What is the InChIKey of (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine?
The InChIKey is SVNZWUXVXCEJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c9-5-7-6-13-8(11-7)12-3-1-10-2-4-12/h7,10H,1-6,9H2.
What are the key properties of (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine?
(2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine has a molecular weight of 200.31 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 67279516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).