5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

C9H15N3OS — CID 64915181

IUPAC5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2CCCO2)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-9(14-7)10-5-4-8-3-2-6-13-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyGQZPCGZECGEQCK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.83
Rot. Bonds4

About 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64915181) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64915181
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2CCCO2)s1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-9(14-7)10-5-4-8-3-2-6-13-8/h8H,2-6H2,1H3,(H,10,12)
InChIKeyGQZPCGZECGEQCK-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133468084
N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276420
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
5-methyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64982714
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
5-methyl-N-[2-(oxan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106000299
5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106495750
methyl 2-[2-[2-(oxolan-2-yl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80575913
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 51091077

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 64915181) is 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC2CCCO2)s1.
What is the InChIKey of 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GQZPCGZECGEQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-12-9(14-7)10-5-4-8-3-2-6-13-8/h8H,2-6H2,1H3,(H,10,12).
What are the key properties of 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 213.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64915181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).