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

C14H27N5S — CID 80608418

IUPAC5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)CC2CCN(C)CC2)s1
InChIInChI=1S/C14H27N5S/c1-4-7-15-14-17-16-13(20-14)11-19(3)10-12-5-8-18(2)9-6-12/h12H,4-11H2,1-3H3,(H,15,17)
InChIKeyYNPQIRJNBYOYDS-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.13
Rot. Bonds7

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

5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80608418) has the molecular formula C14H27N5S and a molecular weight of 297.47 g/mol. Its IUPAC name is 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80608418
Molecular FormulaC14H27N5S
Molecular Weight297.47 g/mol
Exact Mass297.20
IUPAC Name5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)CC2CCN(C)CC2)s1
InChIInChI=1S/C14H27N5S/c1-4-7-15-14-17-16-13(20-14)11-19(3)10-12-5-8-18(2)9-6-12/h12H,4-11H2,1-3H3,(H,15,17)
InChIKeyYNPQIRJNBYOYDS-UHFFFAOYSA-N
XLogP2.13
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[bis(cyclopropylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608516
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320
2-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 80606899
5-[[2-ethoxyethyl(methyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 81074660
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606715
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80608789
5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606208
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607718
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
5-[[bis(3-methylbutyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 107871076
N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 134701294

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80608418) is 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(C)CC2CCN(C)CC2)s1.
What is the InChIKey of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YNPQIRJNBYOYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5S/c1-4-7-15-14-17-16-13(20-14)11-19(3)10-12-5-8-18(2)9-6-12/h12H,4-11H2,1-3H3,(H,15,17).
What are the key properties of 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 297.47 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).