4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine

C10H18N4OS — CID 63711122

IUPAC4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)CC1CCOCC1
InChIInChI=1S/C10H18N4OS/c1-14(6-8-2-4-15-5-3-8)7-9-10(11)16-13-12-9/h8H,2-7,11H2,1H3
InChIKeyRONIXSMULSEJTC-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.98
Rot. Bonds4

About 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine

4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine (PubChem CID 63711122) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine.

Molecular Properties

Compound Name4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine
PubChem CID63711122
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine
SMILESCN(Cc1nnsc1N)CC1CCOCC1
InChIInChI=1S/C10H18N4OS/c1-14(6-8-2-4-15-5-3-8)7-9-10(11)16-13-12-9/h8H,2-7,11H2,1H3
InChIKeyRONIXSMULSEJTC-UHFFFAOYSA-N
XLogP0.98
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine?
The IUPAC name of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine (CID 63711122) is 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine.
What is the SMILES notation for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine?
The canonical SMILES for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine is CN(Cc1nnsc1N)CC1CCOCC1.
What is the InChIKey of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine?
The InChIKey is RONIXSMULSEJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-14(6-8-2-4-15-5-3-8)7-9-10(11)16-13-12-9/h8H,2-7,11H2,1H3.
What are the key properties of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine?
4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine has a molecular weight of 242.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]thiadiazol-5-amine is sourced from PubChem (CID 63711122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).