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

C12H22N4S — CID 114280635

IUPAC5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCC1(CNc2nnc(C)s2)CCNCC1
InChIInChI=1S/C12H22N4S/c1-3-4-12(5-7-13-8-6-12)9-14-11-16-15-10(2)17-11/h13H,3-9H2,1-2H3,(H,14,16)
InChIKeyVKZQZGZYYFJINL-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.43
Rot. Bonds5

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

5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 114280635) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID114280635
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCC1(CNc2nnc(C)s2)CCNCC1
InChIInChI=1S/C12H22N4S/c1-3-4-12(5-7-13-8-6-12)9-14-11-16-15-10(2)17-11/h13H,3-9H2,1-2H3,(H,14,16)
InChIKeyVKZQZGZYYFJINL-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749612
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115455734
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81160973
[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 130662949
(4-propylpiperidin-4-yl)methylcarbamic acid
CID 118239545
5-methyl-N-[(3-methyloxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130639825
5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 65208215
5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103764981
5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64915771
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164
N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 63143322
2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine
CID 115306160

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 114280635) is 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is CCCC1(CNc2nnc(C)s2)CCNCC1.
What is the InChIKey of 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VKZQZGZYYFJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-4-12(5-7-13-8-6-12)9-14-11-16-15-10(2)17-11/h13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114280635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).