2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole

C12H18N6S — CID 118788539

IUPAC2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nc(C2CCCN(Cc3nnc(C)s3)C2)n[nH]1
InChIInChI=1S/C12H18N6S/c1-8-13-12(17-14-8)10-4-3-5-18(6-10)7-11-16-15-9(2)19-11/h10H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyDNXGMNXKWFZURL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.65
Rot. Bonds3

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

2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 118788539) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID118788539
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nc(C2CCCN(Cc3nnc(C)s3)C2)n[nH]1
InChIInChI=1S/C12H18N6S/c1-8-13-12(17-14-8)10-4-3-5-18(6-10)7-11-16-15-9(2)19-11/h10H,3-7H2,1-2H3,(H,13,14,17)
InChIKeyDNXGMNXKWFZURL-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1H-1,2,4-triazol-3-amine
CID 125423749
1-[(5-Ethyl-1H-1,2,4-triazol-3-YL)methyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 91828963
2-propan-2-yl-5-[5-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)hexan-2-yl]-1,3,4-thiadiazole
CID 135137111
2-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methylsulfanyl]-5-piperidin-1-yl-1,3,4-thiadiazole
CID 75400780
1-[5-(2-methylthiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102792694
[3-methyl-1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799578
N-methyl-1-[1-[5-(2-methylthiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799624
N-methyl-1-[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799626
N-methyl-1-[1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799759
[1-[5-(2-methylthiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799829
[1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800041
[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 113737936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole (CID 118788539) is 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is Cc1nc(C2CCCN(Cc3nnc(C)s3)C2)n[nH]1.
What is the InChIKey of 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is DNXGMNXKWFZURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-8-13-12(17-14-8)10-4-3-5-18(6-10)7-11-16-15-9(2)19-11/h10H,3-7H2,1-2H3,(H,13,14,17).
What are the key properties of 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 278.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 118788539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).