4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole

C9H15N3S — CID 62487816

IUPAC4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCc1ncsc1CN1CCNCC1
InChIInChI=1S/C9H15N3S/c1-8-9(13-7-11-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyUQVKLADULBXEGO-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.86
Rot. Bonds2

About 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole

4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 62487816) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID62487816
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESCc1ncsc1CN1CCNCC1
InChIInChI=1S/C9H15N3S/c1-8-9(13-7-11-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyUQVKLADULBXEGO-UHFFFAOYSA-N
XLogP0.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64953207
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperazin-1-ylethanesulfonamide
CID 55170339
5-(7,11-diazaspiro[5.6]dodecan-11-ylmethyl)-4-methyl-1,3-thiazole
CID 64950198
1-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]ethanol
CID 53193301
anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 19893371
4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 171682245
4-methyl-5-[(4-phenyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 131901433
4-methyl-5-[[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110114381
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 120769012
5-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 131892163
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-4-methyl-1,3-thiazole;hydrochloride
CID 120769011
6-methyl-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 38996171

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole (CID 62487816) is 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole is Cc1ncsc1CN1CCNCC1.
What is the InChIKey of 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is UQVKLADULBXEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-8-9(13-7-11-8)6-12-4-2-10-3-5-12/h7,10H,2-6H2,1H3.
What are the key properties of 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole?
4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 197.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 62487816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).