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

C8H12BrN3OS — CID 64624112

IUPAC5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCCC2CCCO2)s1
InChIInChI=1S/C8H12BrN3OS/c9-7-11-12-8(14-7)10-4-3-6-2-1-5-13-6/h6H,1-5H2,(H,10,12)
InChIKeyWFCCITMVWXWPBK-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.28
Rot. Bonds4

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

5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64624112) has the molecular formula C8H12BrN3OS and a molecular weight of 278.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64624112
Molecular FormulaC8H12BrN3OS
Molecular Weight278.18 g/mol
Exact Mass276.99
IUPAC Name5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(NCCC2CCCO2)s1
InChIInChI=1S/C8H12BrN3OS/c9-7-11-12-8(14-7)10-4-3-6-2-1-5-13-6/h6H,1-5H2,(H,10,12)
InChIKeyWFCCITMVWXWPBK-UHFFFAOYSA-N
XLogP2.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.28
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
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-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625135
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163343
1-(4-bromothiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 107167237
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
N-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79507708
N-(oxolan-2-ylmethyl)thiatriazol-5-amine
CID 86210692

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 64624112) is 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is Brc1nnc(NCCC2CCCO2)s1.
What is the InChIKey of 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WFCCITMVWXWPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3OS/c9-7-11-12-8(14-7)10-4-3-6-2-1-5-13-6/h6H,1-5H2,(H,10,12).
What are the key properties of 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 278.18 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64624112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).