N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 114165463

IUPACN-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCN(C)C2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)7-11-14-15-12(17-11)13-10-5-4-6-16(3)8-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyHHRBXZLGQAODIP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.24
Rot. Bonds4

About N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114165463) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID114165463
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCCN(C)C2)s1
InChIInChI=1S/C12H22N4S/c1-9(2)7-11-14-15-12(17-11)13-10-5-4-6-16(3)8-10/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyHHRBXZLGQAODIP-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine 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

N-(azetidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260177
N-(4-ethylcycloheptyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260643
N-(1,5-dimethylpyrrolidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165481
5-(2-methylpropyl)-N-piperidin-4-yl-1,3,4-thiadiazol-2-amine
CID 106260980
N-(3-methylcyclobutyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260659
N-(1-azabicyclo[3.2.1]octan-4-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165420
N-(2,6-dimethylcyclohexyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165428
N-(2-methylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260329
N-(cyclopropylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260949
N-(2,2-dimethylcyclopentyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165506
5-(2-methylpropyl)-N-(piperidin-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 106260538
5-ethyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107647561

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 114165463) is N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CCCN(C)C2)s1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HHRBXZLGQAODIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(2)7-11-14-15-12(17-11)13-10-5-4-6-16(3)8-10/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114165463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).