2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole

C10H17N3S2 — CID 82191023

IUPAC2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCSCc1ncc(CN2CCNCC2)s1
InChIInChI=1S/C10H17N3S2/c1-14-8-10-12-6-9(15-10)7-13-4-2-11-3-5-13/h6,11H,2-5,7-8H2,1H3
InChIKeyQSKMHMCKFYVDGS-UHFFFAOYSA-N
MW243.40 g/mol
LogP1.41
Rot. Bonds4

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

2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 82191023) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID82191023
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCSCc1ncc(CN2CCNCC2)s1
InChIInChI=1S/C10H17N3S2/c1-14-8-10-12-6-9(15-10)7-13-4-2-11-3-5-13/h6,11H,2-5,7-8H2,1H3
InChIKeyQSKMHMCKFYVDGS-UHFFFAOYSA-N
XLogP1.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
2-[2-(azepan-1-yl)ethyl]-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191395
5-(piperazin-1-ylmethyl)-2-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 82191043
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
2-(piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
5-(piperazin-1-ylmethyl)thiadiazole
CID 65215143
3-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62691902
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
1-(thieno[3,2-b]thiophen-5-ylmethyl)piperazine
CID 80745758
1-[(4,5-dimethylthiophen-2-yl)methyl]-1,4-diazepane
CID 65245916
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 62487816

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole (CID 82191023) is 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole is CSCc1ncc(CN2CCNCC2)s1.
What is the InChIKey of 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is QSKMHMCKFYVDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-14-8-10-12-6-9(15-10)7-13-4-2-11-3-5-13/h6,11H,2-5,7-8H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole?
2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 243.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 82191023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).