(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone

C13H10N2OS3 — CID 12695355

IUPAC(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
SMILESCSc1snc2sc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C13H10N2OS3/c1-17-13-8-9(14)11(18-12(8)15-19-13)10(16)7-5-3-2-4-6-7/h2-6H,14H2,1H3
InChIKeyHEEROPBPBQAVON-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.89
Rot. Bonds3

About (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone

(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone (PubChem CID 12695355) has the molecular formula C13H10N2OS3 and a molecular weight of 306.44 g/mol. Its IUPAC name is (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
PubChem CID12695355
Molecular FormulaC13H10N2OS3
Molecular Weight306.44 g/mol
Exact Mass306.00
IUPAC Name(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
SMILESCSc1snc2sc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C13H10N2OS3/c1-17-13-8-9(14)11(18-12(8)15-19-13)10(16)7-5-3-2-4-6-7/h2-6H,14H2,1H3
InChIKeyHEEROPBPBQAVON-UHFFFAOYSA-N
XLogP3.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 1480855
[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-phenylmethanone
CID 2816888
[4-amino-3-[2-(dimethylamino)ethylsulfanyl]thieno[2,3-c][1,2]thiazol-5-yl]-(4-chlorophenyl)methanone
CID 14145061
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
1-(3,4-diamino-5-benzoylthieno[2,3-b]thiophen-2-yl)ethanone
CID 57149764
(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)-phenylmethanone
CID 794547
(3-amino-5-thia-7,8-diazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaen-4-yl)-phenylmethanone
CID 14892081
[3-amino-4-(benzylamino)thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5339110
3,6-diamino-2-benzoyl-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 1070240
[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5230190
[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 144756269
1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 171136616

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
The IUPAC name of (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone (CID 12695355) is (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone is CSc1snc2sc(C(=O)c3ccccc3)c(N)c12.
What is the InChIKey of (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
The InChIKey is HEEROPBPBQAVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS3/c1-17-13-8-9(14)11(18-12(8)15-19-13)10(16)7-5-3-2-4-6-7/h2-6H,14H2,1H3.
What are the key properties of (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone has a molecular weight of 306.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 12695355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).