2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole

C11H16N6S — CID 114031043

IUPAC2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
SMILESCc1ncc(-c2nc(N3CCNC(C)C3)n[nH]2)s1
InChIInChI=1S/C11H16N6S/c1-7-6-17(4-3-12-7)11-14-10(15-16-11)9-5-13-8(2)18-9/h5,7,12H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyUCWBJUQJHOJOFT-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.03
Rot. Bonds2

About 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole

2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole (PubChem CID 114031043) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
PubChem CID114031043
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
SMILESCc1ncc(-c2nc(N3CCNC(C)C3)n[nH]2)s1
InChIInChI=1S/C11H16N6S/c1-7-6-17(4-3-12-7)11-14-10(15-16-11)9-5-13-8(2)18-9/h5,7,12H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeyUCWBJUQJHOJOFT-UHFFFAOYSA-N
XLogP1.03
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole with MolForge

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Related Compounds

3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798380
(3S)-1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797993
3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine
CID 102798513
4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
CID 102798259
4-methyl-5-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]-1,3-oxazole
CID 102797978
(3S)-3-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798174
3-methyl-1-[5-(2-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798204
1-[5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798298
(3S)-1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797953
1-[5-(2,6-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798501
(3S)-3-methyl-1-[5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798133
(3R)-1-[5-(2,4-difluoro-5-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797547

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole (CID 114031043) is 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole is Cc1ncc(-c2nc(N3CCNC(C)C3)n[nH]2)s1.
What is the InChIKey of 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
The InChIKey is UCWBJUQJHOJOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-7-6-17(4-3-12-7)11-14-10(15-16-11)9-5-13-8(2)18-9/h5,7,12H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole?
2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole has a molecular weight of 264.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 114031043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).