3-aminothieno[2,3-c][1,2]thiazole-5-thiol

C5H4N2S3 — CID 144642949

IUPAC3-aminothieno[2,3-c][1,2]thiazole-5-thiol
SMILESNc1snc2sc(S)cc12
InChIInChI=1S/C5H4N2S3/c6-4-2-1-3(8)9-5(2)7-10-4/h1,8H,6H2
InChIKeyQOAUECTWHZQDQA-UHFFFAOYSA-N
MW188.30 g/mol
LogP2.23
Rot. Bonds

About 3-aminothieno[2,3-c][1,2]thiazole-5-thiol

3-aminothieno[2,3-c][1,2]thiazole-5-thiol (PubChem CID 144642949) has the molecular formula C5H4N2S3 and a molecular weight of 188.30 g/mol. Its IUPAC name is 3-aminothieno[2,3-c][1,2]thiazole-5-thiol.

Molecular Properties

Compound Name3-aminothieno[2,3-c][1,2]thiazole-5-thiol
PubChem CID144642949
Molecular FormulaC5H4N2S3
Molecular Weight188.30 g/mol
Exact Mass187.95
IUPAC Name3-aminothieno[2,3-c][1,2]thiazole-5-thiol
SMILESNc1snc2sc(S)cc12
InChIInChI=1S/C5H4N2S3/c6-4-2-1-3(8)9-5(2)7-10-4/h1,8H,6H2
InChIKeyQOAUECTWHZQDQA-UHFFFAOYSA-N
XLogP2.23
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-chloro-1-benzothiophene-2-thiol
CID 130803306
4-amino-2-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131218721
[1,2]thiazolo[3,4-c]pyridin-3-amine
CID 86166042
4-amino-7-iodo-1-benzothiophene-2-thiol
CID 130951779
5-amino-4-fluoro-1-benzothiophene-2-thiol
CID 130855029
thieno[3,2-b]thiophene-2,5-dithiol
CID 609297
4-amino-2-sulfanyl-1-benzothiophene-7-carbonitrile
CID 131033923
4-amino-2-sulfanyl-1-benzothiophene-7-carboxylic acid
CID 130969907
5-iodothieno[3,2-b]thiophene-2-thiol
CID 135211082
3-(5-iodo-1,3-thiazol-2-yl)-1,2,4-thiadiazol-5-amine
CID 130541330
5-chloro-4-iodothiophene-2-thiol
CID 146393116
7-methylthieno[3,4-c]pyridine-1,3-diamine
CID 45077087

Frequently Asked Questions

What is the IUPAC name of 3-aminothieno[2,3-c][1,2]thiazole-5-thiol?
The IUPAC name of 3-aminothieno[2,3-c][1,2]thiazole-5-thiol (CID 144642949) is 3-aminothieno[2,3-c][1,2]thiazole-5-thiol.
What is the SMILES notation for 3-aminothieno[2,3-c][1,2]thiazole-5-thiol?
The canonical SMILES for 3-aminothieno[2,3-c][1,2]thiazole-5-thiol is Nc1snc2sc(S)cc12.
What is the InChIKey of 3-aminothieno[2,3-c][1,2]thiazole-5-thiol?
The InChIKey is QOAUECTWHZQDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S3/c6-4-2-1-3(8)9-5(2)7-10-4/h1,8H,6H2.
What are the key properties of 3-aminothieno[2,3-c][1,2]thiazole-5-thiol?
3-aminothieno[2,3-c][1,2]thiazole-5-thiol has a molecular weight of 188.30 g/mol, XLogP of 2.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothieno[2,3-c][1,2]thiazole-5-thiol is sourced from PubChem (CID 144642949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).