N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

C10H17N3OS — CID 133320854

IUPACN,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CC2CCCOC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-11-10(15-12-8)13(2)6-9-4-3-5-14-7-9/h9H,3-7H2,1-2H3
InChIKeyINBQNWBSOYIGJF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.71
Rot. Bonds3

About N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine

N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133320854) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133320854
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)CC2CCCOC2)n1
InChIInChI=1S/C10H17N3OS/c1-8-11-10(15-12-8)13(2)6-9-4-3-5-14-7-9/h9H,3-7H2,1-2H3
InChIKeyINBQNWBSOYIGJF-UHFFFAOYSA-N
XLogP1.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 126857213
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
3-[2-[methyl(oxan-3-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487629
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
CID 81131398
methyl 4-chloro-2-[methyl(oxan-3-ylmethyl)amino]-1,3-thiazole-5-carboxylate
CID 63705748
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984160
3-amino-N,N-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103362995
6-hydrazinyl-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 80909919
3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114072561
3-(aminomethyl)-N,2,6-trimethyl-N-(oxan-3-ylmethyl)pyridin-4-amine
CID 81050787

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 133320854) is N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C)CC2CCCOC2)n1.
What is the InChIKey of N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is INBQNWBSOYIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-11-10(15-12-8)13(2)6-9-4-3-5-14-7-9/h9H,3-7H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133320854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).