5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C8H13N3OS — CID 64915572

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCO2)s1
InChIInChI=1S/C8H13N3OS/c1-6-10-11-8(13-6)9-5-7-3-2-4-12-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyLBBPVPBRIOHTSF-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.44
Rot. Bonds3

About 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64915572) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID64915572
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CCCO2)s1
InChIInChI=1S/C8H13N3OS/c1-6-10-11-8(13-6)9-5-7-3-2-4-12-7/h7H,2-5H2,1H3,(H,9,11)
InChIKeyLBBPVPBRIOHTSF-UHFFFAOYSA-N
XLogP1.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 51091077
N-(cycloheptylmethyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648211
N-(oxolan-2-ylmethyl)thiatriazol-5-amine
CID 86210692
N-(oxan-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448389
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
5-[(2-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 46670484
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
5-[[(2R)-oxolan-2-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione
CID 7131289
(3R)-3-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one
CID 95145854
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 64915572) is 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CCCO2)s1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LBBPVPBRIOHTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-10-11-8(13-6)9-5-7-3-2-4-12-7/h7H,2-5H2,1H3,(H,9,11).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 199.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64915572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).