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

C13H24N4OS — CID 102966690

IUPAC5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCC(C)C(OC)C2)s1
InChIInChI=1S/C13H24N4OS/c1-4-6-14-13-16-15-12(19-13)9-17-7-5-10(2)11(8-17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyLCXCYHXWXCOJRV-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.22
Rot. Bonds6

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

5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 102966690) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID102966690
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN2CCC(C)C(OC)C2)s1
InChIInChI=1S/C13H24N4OS/c1-4-6-14-13-16-15-12(19-13)9-17-7-5-10(2)11(8-17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyLCXCYHXWXCOJRV-UHFFFAOYSA-N
XLogP2.22
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-3-carboxylate
CID 80608083
5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80609041
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606715
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 102965460
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102967937
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 102968026
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 102967917
3-chloro-6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]pyridazine
CID 102957006
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80609055
2-[2-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 102965459
1-methyl-4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 80608371

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 102966690) is 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN2CCC(C)C(OC)C2)s1.
What is the InChIKey of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LCXCYHXWXCOJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-6-14-13-16-15-12(19-13)9-17-7-5-10(2)11(8-17)18-3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 284.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 102966690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).