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

C8H8ClN3OS — CID 43427054

IUPAC4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine
SMILESCC(Nc1nsnc1Cl)c1ccco1
InChIInChI=1S/C8H8ClN3OS/c1-5(6-3-2-4-13-6)10-8-7(9)11-14-12-8/h2-5H,1H3,(H,10,12)
InChIKeySVIXANWTMQHPQP-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.96
Rot. Bonds3

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

4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine (PubChem CID 43427054) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine
PubChem CID43427054
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine
SMILESCC(Nc1nsnc1Cl)c1ccco1
InChIInChI=1S/C8H8ClN3OS/c1-5(6-3-2-4-13-6)10-8-7(9)11-14-12-8/h2-5H,1H3,(H,10,12)
InChIKeySVIXANWTMQHPQP-UHFFFAOYSA-N
XLogP2.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[1-(furan-2-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728421
4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine
CID 43808288
5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80907426
N-[1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43535842
N-[1-(furan-2-yl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702484
N-[(1S)-1-(furan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 9031350
N-[(1R)-1-(furan-2-yl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 41131806
6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80936336
5-fluoro-4-N-[1-(furan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780792
2-tert-butyl-6-chloro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80953409
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969017
5-chloro-2-cyclopropyl-6-[1-(furan-2-yl)ethylamino]pyrimidine-4-carboxylic acid
CID 58220674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine (CID 43427054) is 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine is CC(Nc1nsnc1Cl)c1ccco1.
What is the InChIKey of 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is SVIXANWTMQHPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-5(6-3-2-4-13-6)10-8-7(9)11-14-12-8/h2-5H,1H3,(H,10,12).
What are the key properties of 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 229.69 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(furan-2-yl)ethyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43427054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).