2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine

C9H11N3OS2 — CID 170869051

IUPAC2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine
SMILESCc1nnc(Sc2ccc(CCN)o2)s1
InChIInChI=1S/C9H11N3OS2/c1-6-11-12-9(14-6)15-8-3-2-7(13-8)4-5-10/h2-3H,4-5,10H2,1H3
InChIKeyCHOXVIFIQDVNSO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.09
Rot. Bonds4

About 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine

2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine (PubChem CID 170869051) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine
PubChem CID170869051
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine
SMILESCc1nnc(Sc2ccc(CCN)o2)s1
InChIInChI=1S/C9H11N3OS2/c1-6-11-12-9(14-6)15-8-3-2-7(13-8)4-5-10/h2-3H,4-5,10H2,1H3
InChIKeyCHOXVIFIQDVNSO-UHFFFAOYSA-N
XLogP2.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-carboxylic acid
CID 60703842
2-[[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]methylidene]propanedinitrile
CID 71825365
[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 63807700
2-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057623
2-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 63818475
2-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 81159748
4-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 65342054
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
CID 107552293
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
CID 79583319
[5-bromo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 114893834
2-(5-ethylfuran-2-yl)ethanamine
CID 62346486
5-iodo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 66082760

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine?
The IUPAC name of 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine (CID 170869051) is 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine?
The canonical SMILES for 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine is Cc1nnc(Sc2ccc(CCN)o2)s1.
What is the InChIKey of 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine?
The InChIKey is CHOXVIFIQDVNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-6-11-12-9(14-6)15-8-3-2-7(13-8)4-5-10/h2-3H,4-5,10H2,1H3.
What are the key properties of 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine?
2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]furan-2-yl]ethanamine is sourced from PubChem (CID 170869051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).