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

C9H15N3OS — CID 103988243

IUPACN-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CC2CCOC2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-10-9-11-8(12-14-9)5-7-3-4-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyBSWSWALFDNPYDR-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.55
Rot. Bonds4

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

N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103988243) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID103988243
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(CC2CCOC2)ns1
InChIInChI=1S/C9H15N3OS/c1-2-10-9-11-8(12-14-9)5-7-3-4-13-6-7/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyBSWSWALFDNPYDR-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyloxolan-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105741829
N-[1-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305191
N-[2-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114131218
3-methyl-N-[(oxolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267510
3-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65267511
3-methyl-N-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267620
3-(3-methoxypropyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268116
3-methyl-N-(oxan-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268265
N-ethyl-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268515
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
N-ethyl-3-(3-methoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65269090
N-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65269130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 103988243) is N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is CCNc1nc(CC2CCOC2)ns1.
What is the InChIKey of N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BSWSWALFDNPYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-10-9-11-8(12-14-9)5-7-3-4-13-6-7/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103988243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).