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

C13H10N2OS2 — CID 1480855

IUPAC(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
SMILESCc1snc2sc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C13H10N2OS2/c1-7-9-10(14)12(17-13(9)15-18-7)11(16)8-5-3-2-4-6-8/h2-6H,14H2,1H3
InChIKeyIPZKVUAWSKTDQT-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.48
Rot. Bonds2

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

(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone (PubChem CID 1480855) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
PubChem CID1480855
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
SMILESCc1snc2sc(C(=O)c3ccccc3)c(N)c12
InChIInChI=1S/C13H10N2OS2/c1-7-9-10(14)12(17-13(9)15-18-7)11(16)8-5-3-2-4-6-8/h2-6H,14H2,1H3
InChIKeyIPZKVUAWSKTDQT-UHFFFAOYSA-N
XLogP3.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 12695355
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
ethyl 4-amino-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate
CID 2763729
1-(3,4-diamino-5-benzoylthieno[2,3-b]thiophen-2-yl)ethanone
CID 57149764
[4-amino-3-(2-pyrrolidin-1-ylethylsulfanyl)thieno[2,3-c][1,2]thiazol-5-yl]-phenylmethanone
CID 2816888
(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-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 144756269
[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
1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 171136616
1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
CID 14268896

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
The IUPAC name of (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone (CID 1480855) is (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone is Cc1snc2sc(C(=O)c3ccccc3)c(N)c12.
What is the InChIKey of (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
The InChIKey is IPZKVUAWSKTDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-7-9-10(14)12(17-13(9)15-18-7)11(16)8-5-3-2-4-6-8/h2-6H,14H2,1H3.
What are the key properties of (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone?
(4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone has a molecular weight of 274.37 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone is sourced from PubChem (CID 1480855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).