4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide

C14H13N3O2S3 — CID 71199158

IUPAC4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)Cc1csc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C14H13N3O2S3/c1-22(19)6-7-2-10(20-5-7)11-3-8-12(21-11)9(14(16)18)4-17-13(8)15/h2-5H,6H2,1H3,(H2,15,17)(H2,16,18)
InChIKeyOQRIMCNJXMYLOU-UHFFFAOYSA-N
MW351.48 g/mol
LogP2.58
Rot. Bonds4

About 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide

4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 71199158) has the molecular formula C14H13N3O2S3 and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID71199158
Molecular FormulaC14H13N3O2S3
Molecular Weight351.48 g/mol
Exact Mass351.02
IUPAC Name4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide
SMILESCS(=O)Cc1csc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C14H13N3O2S3/c1-22(19)6-7-2-10(20-5-7)11-3-8-12(21-11)9(14(16)18)4-17-13(8)15/h2-5H,6H2,1H3,(H2,15,17)(H2,16,18)
InChIKeyOQRIMCNJXMYLOU-UHFFFAOYSA-N
XLogP2.58
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585658
4-amino-2-[5-(2-methylsulfonylethyl)thiophen-3-yl]thieno[3,2-c]pyridine-7-carboxamide
CID 71199206
4-amino-2-[3-(2-cyanoethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 10403859
4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585661
4-amino-2-(2,2-dihydroxy-2-benzothiophen-5-yl)thieno[3,2-c]pyridine-7-carboxamide
CID 90940981
4-amino-2-pyrrol-1-ylthieno[3,2-c]pyridine-7-carboxamide
CID 70950574
4-amino-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 10475997
4-amino-2-[4-(aminomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-carbamoylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(cyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(methylsulfonylmethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(methylsulfonylmethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 159365773
4-amino-2-[4-(2-morpholin-4-yl-2-oxoethyl)sulfonylphenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585501
(1-amino-4-carbamoyl-[1]benzothiolo[3,2-c]pyridin-7-yl) hydrogen carbonate
CID 70375976
3-[4-(4-amino-7-carbamoylthieno[3,2-c]pyridin-2-yl)phenyl]propanoic acid;4-amino-2-(3-cyanophenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[3-(isocyanomethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methoxyphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-(4-methylphenyl)thieno[3,2-c]pyridine-7-carboxamide;4-amino-2-[4-(2-methylsulfonylethyl)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 159782918
2-amino-5-(4-ethylthiophen-2-yl)pyridine-4-carboxylic acid
CID 53445519

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide (CID 71199158) is 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide is CS(=O)Cc1csc(-c2cc3c(N)ncc(C(N)=O)c3s2)c1.
What is the InChIKey of 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is OQRIMCNJXMYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S3/c1-22(19)6-7-2-10(20-5-7)11-3-8-12(21-11)9(14(16)18)4-17-13(8)15/h2-5H,6H2,1H3,(H2,15,17)(H2,16,18).
What are the key properties of 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide?
4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-(methylsulfinylmethyl)thiophen-2-yl]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 71199158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).