N-(oxolan-2-ylmethyl)thiatriazol-5-amine

C6H10N4OS — CID 86210692

IUPACN-(oxolan-2-ylmethyl)thiatriazol-5-amine
SMILESC1COC(CNc2nnns2)C1
InChIInChI=1S/C6H10N4OS/c1-2-5(11-3-1)4-7-6-8-9-10-12-6/h5H,1-4H2,(H,7,8,10)
InChIKeyNHICXWDWLLSJDE-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.52
Rot. Bonds3

About N-(oxolan-2-ylmethyl)thiatriazol-5-amine

N-(oxolan-2-ylmethyl)thiatriazol-5-amine (PubChem CID 86210692) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)thiatriazol-5-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)thiatriazol-5-amine
PubChem CID86210692
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC NameN-(oxolan-2-ylmethyl)thiatriazol-5-amine
SMILESC1COC(CNc2nnns2)C1
InChIInChI=1S/C6H10N4OS/c1-2-5(11-3-1)4-7-6-8-9-10-12-6/h5H,1-4H2,(H,7,8,10)
InChIKeyNHICXWDWLLSJDE-UHFFFAOYSA-N
XLogP0.52
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione
CID 7131289
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 2123866
N-(oxan-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448389
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 63961095
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)thiatriazol-5-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)thiatriazol-5-amine (CID 86210692) is N-(oxolan-2-ylmethyl)thiatriazol-5-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)thiatriazol-5-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)thiatriazol-5-amine is C1COC(CNc2nnns2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)thiatriazol-5-amine?
The InChIKey is NHICXWDWLLSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-2-5(11-3-1)4-7-6-8-9-10-12-6/h5H,1-4H2,(H,7,8,10).
What are the key properties of N-(oxolan-2-ylmethyl)thiatriazol-5-amine?
N-(oxolan-2-ylmethyl)thiatriazol-5-amine has a molecular weight of 186.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)thiatriazol-5-amine is sourced from PubChem (CID 86210692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).