4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole

C9H15N3S — CID 62480503

IUPAC4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCNC(C)C2)n1
InChIInChI=1S/C9H15N3S/c1-7-5-12(4-3-10-7)9-11-8(2)6-13-9/h6-7,10H,3-5H2,1-2H3
InChIKeyTUNKVHKMURZDIF-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.25
Rot. Bonds1

About 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole

4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 62480503) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID62480503
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCNC(C)C2)n1
InChIInChI=1S/C9H15N3S/c1-7-5-12(4-3-10-7)9-11-8(2)6-13-9/h6-7,10H,3-5H2,1-2H3
InChIKeyTUNKVHKMURZDIF-UHFFFAOYSA-N
XLogP1.25
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole (CID 62480503) is 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole is Cc1csc(N2CCNC(C)C2)n1.
What is the InChIKey of 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is TUNKVHKMURZDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-5-12(4-3-10-7)9-11-8(2)6-13-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole?
4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 197.31 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 62480503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).