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

C8H14N4OS — CID 167983260

IUPACN-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC[C@@H]2COC[C@@H]2N)s1
InChIInChI=1S/C8H14N4OS/c1-5-11-12-8(14-5)10-2-6-3-13-4-7(6)9/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7+/m1/s1
InChIKeyHXULSNOIZBLIGW-RQJHMYQMSA-N
MW214.29 g/mol
LogP0.23
Rot. Bonds3

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

N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 167983260) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID167983260
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC[C@@H]2COC[C@@H]2N)s1
InChIInChI=1S/C8H14N4OS/c1-5-11-12-8(14-5)10-2-6-3-13-4-7(6)9/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7+/m1/s1
InChIKeyHXULSNOIZBLIGW-RQJHMYQMSA-N
XLogP0.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
methyl 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclohexane-1-carboxylate
CID 108778241
5-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209104
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269830
5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209321
5-methyl-N-[(3-methyloxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130639825
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
4-[(2-methylpropylamino)methyl]oxolan-3-amine
CID 66237931
[3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]oxetan-3-yl]methanol
CID 130662949
N-(2,2-difluoroethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 79098164
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 N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 167983260) is N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC[C@@H]2COC[C@@H]2N)s1.
What is the InChIKey of N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HXULSNOIZBLIGW-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5-11-12-8(14-5)10-2-6-3-13-4-7(6)9/h6-7H,2-4,9H2,1H3,(H,10,12)/t6-,7+/m1/s1.
What are the key properties of N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 214.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-4-aminooxolan-3-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 167983260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).