N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 83061444

IUPACN-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCC1CCCCN1Cc1nnc(NC)s1
InChIInChI=1S/C12H22N4S/c1-3-6-10-7-4-5-8-16(10)9-11-14-15-12(13-2)17-11/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyRSZDLSNTMQPUDJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 83061444) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID83061444
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCC1CCCCN1Cc1nnc(NC)s1
InChIInChI=1S/C12H22N4S/c1-3-6-10-7-4-5-8-16(10)9-11-14-15-12(13-2)17-11/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyRSZDLSNTMQPUDJ-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606718
N-ethyl-5-[(2-ethylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104691834
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608789
5-[(2-ethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79021704
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 80606498
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80608247
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
CID 80609754
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607629
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
2-methyl-N-[[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83046678

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 83061444) is N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CCCC1CCCCN1Cc1nnc(NC)s1.
What is the InChIKey of N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is RSZDLSNTMQPUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-6-10-7-4-5-8-16(10)9-11-14-15-12(13-2)17-11/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83061444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).