4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine

C8H8ClN3OS — CID 61422628

IUPAC4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(Cc1ccoc1)c1nsnc1Cl
InChIInChI=1S/C8H8ClN3OS/c1-12(4-6-2-3-13-5-6)8-7(9)10-14-11-8/h2-3,5H,4H2,1H3
InChIKeyZUVHGQKERSBRSA-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.42
Rot. Bonds3

About 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine

4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 61422628) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID61422628
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCN(Cc1ccoc1)c1nsnc1Cl
InChIInChI=1S/C8H8ClN3OS/c1-12(4-6-2-3-13-5-6)8-7(9)10-14-11-8/h2-3,5H,4H2,1H3
InChIKeyZUVHGQKERSBRSA-UHFFFAOYSA-N
XLogP2.42
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(furan-3-ylmethyl)-N,5-dimethylpyrimidin-4-amine
CID 63729632
5-bromo-2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 79075785
6-chloro-N-(furan-3-ylmethyl)-N-methyl-5-nitropyrimidin-4-amine
CID 55035481
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
6-chloro-N-(furan-3-ylmethyl)-N-methyl-3-nitropyridin-2-amine
CID 61422627
[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61422350
2-chloro-N-(furan-3-ylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103320853
2-chloro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
CID 62341687
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
3-[furan-3-ylmethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 55107661
3-(2-aminoethyl)-N-(furan-3-ylmethyl)-N-methylimidazo[1,2-a]pyridin-2-amine
CID 63786700
4-chloro-N-(furan-3-ylmethyl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62865121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 61422628) is 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is CN(Cc1ccoc1)c1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is ZUVHGQKERSBRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-12(4-6-2-3-13-5-6)8-7(9)10-14-11-8/h2-3,5H,4H2,1H3.
What are the key properties of 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 229.69 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-3-ylmethyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 61422628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).