2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol

C8H13N3OS — CID 126856635

IUPAC2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol
SMILESCc1nnc(N(C)C2CCC2O)s1
InChIInChI=1S/C8H13N3OS/c1-5-9-10-8(13-5)11(2)6-3-4-7(6)12/h6-7,12H,3-4H2,1-2H3
InChIKeyGAVMITGVROTGLY-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.81
Rot. Bonds2

About 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol

2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol (PubChem CID 126856635) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol
PubChem CID126856635
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol
SMILESCc1nnc(N(C)C2CCC2O)s1
InChIInChI=1S/C8H13N3OS/c1-5-9-10-8(13-5)11(2)6-3-4-7(6)12/h6-7,12H,3-4H2,1-2H3
InChIKeyGAVMITGVROTGLY-UHFFFAOYSA-N
XLogP0.81
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol 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

4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79115479
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]cyclobutan-1-ol
CID 126856653
cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
CID 131014562
2-[cyclobutyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 102675228
2-[methyl(pyridin-2-yl)amino]cyclobutan-1-ol
CID 126856660
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]cyclohexan-1-ol
CID 102633793
N,5-dimethyl-N-(2-methylprop-2-enyl)-1,3,4-thiadiazol-2-amine
CID 130639296
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 12679001
trans-(1R,2R)-2-[(5-fluoropyrimidin-4-yl)-methylamino]cyclobutan-1-ol
CID 139022856
N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 58663770
5-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]pentan-1-ol
CID 107203400

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol?
The IUPAC name of 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol (CID 126856635) is 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol is Cc1nnc(N(C)C2CCC2O)s1.
What is the InChIKey of 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol?
The InChIKey is GAVMITGVROTGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5-9-10-8(13-5)11(2)6-3-4-7(6)12/h6-7,12H,3-4H2,1-2H3.
What are the key properties of 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol?
2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol has a molecular weight of 199.28 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 126856635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).