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

C11H19N3OS — CID 65276420

IUPACN-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCC2CCCO2)n1
InChIInChI=1S/C11H19N3OS/c1-2-4-10-13-11(16-14-10)12-7-6-9-5-3-8-15-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyIDNSSXONDNLHFX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.47
Rot. Bonds6

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

N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 65276420) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID65276420
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCCC2CCCO2)n1
InChIInChI=1S/C11H19N3OS/c1-2-4-10-13-11(16-14-10)12-7-6-9-5-3-8-15-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyIDNSSXONDNLHFX-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273754
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65330592
1-methyl-5-N-[2-(oxolan-2-yl)ethyl]-3-propylpyrazole-4,5-diamine
CID 66018882
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
N-[2-(cyclopenten-1-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106177679
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 106128094
N-(2-methylsulfonylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271114
N-[(4-chlorocyclohexyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106125743

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 65276420) is N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCCC2CCCO2)n1.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IDNSSXONDNLHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-4-10-13-11(16-14-10)12-7-6-9-5-3-8-15-9/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).