N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine

C12H22N4S — CID 133319574

IUPACN-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C12H22N4S/c1-9-13-11(17-15-9)14-10-5-7-16(8-6-10)12(2,3)4/h10H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyRMMLIPBQERNHNX-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.52
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133319574) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133319574
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN(C(C)(C)C)CC2)n1
InChIInChI=1S/C12H22N4S/c1-9-13-11(17-15-9)14-10-5-7-16(8-6-10)12(2,3)4/h10H,5-8H2,1-4H3,(H,13,14,15)
InChIKeyRMMLIPBQERNHNX-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-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

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074415
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133333839
N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine
CID 133318911
4-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79111015
3-tert-butyl-N-(1-cyclopropylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276899
3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 103703272
N-(1,1-dioxothian-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272954
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
CID 65272477
3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine
CID 103894653
4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
3-(methoxymethyl)-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 133383314

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 133319574) is N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCN(C(C)(C)C)CC2)n1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RMMLIPBQERNHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9-13-11(17-15-9)14-10-5-7-16(8-6-10)12(2,3)4/h10H,5-8H2,1-4H3,(H,13,14,15).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 254.40 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133319574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).