5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole

C9H15N3S — CID 18738462

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCN1CCN(Cc2cncs2)CC1
InChIInChI=1S/C9H15N3S/c1-11-2-4-12(5-3-11)7-9-6-10-8-13-9/h6,8H,2-5,7H2,1H3
InChIKeyMLBZDUCFIXGRNU-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.89
Rot. Bonds2

About 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 18738462) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID18738462
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCN1CCN(Cc2cncs2)CC1
InChIInChI=1S/C9H15N3S/c1-11-2-4-12(5-3-11)7-9-6-10-8-13-9/h6,8H,2-5,7H2,1H3
InChIKeyMLBZDUCFIXGRNU-UHFFFAOYSA-N
XLogP0.89
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
2-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanethioamide
CID 112640582
5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 141119383
5-[[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 75508189
(7S)-7-methyl-4-(1,3-thiazol-5-ylmethyl)-1,4-thiazepane 1,1-dioxide
CID 129401951
8-(1,3-thiazol-5-ylmethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112548802
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazole
CID 130918068
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 112640956
2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]oxyethanol
CID 112548978
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163348150

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole (CID 18738462) is 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole is CN1CCN(Cc2cncs2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is MLBZDUCFIXGRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-11-2-4-12(5-3-11)7-9-6-10-8-13-9/h6,8H,2-5,7H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 197.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 18738462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).