3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide

C15H18N2O2S2 — CID 154752601

IUPAC3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NC3CCS(=O)CC3)c(C)c12
InChIInChI=1S/C15H18N2O2S2/c1-9-3-6-16-15-12(9)10(2)13(20-15)14(18)17-11-4-7-21(19)8-5-11/h3,6,11H,4-5,7-8H2,1-2H3,(H,17,18)
InChIKeyIKXCNUNOMGNSER-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.55
Rot. Bonds2

About 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide

3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 154752601) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID154752601
Molecular FormulaC15H18N2O2S2
Molecular Weight322.45 g/mol
Exact Mass322.08
IUPAC Name3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NC3CCS(=O)CC3)c(C)c12
InChIInChI=1S/C15H18N2O2S2/c1-9-3-6-16-15-12(9)10(2)13(20-15)14(18)17-11-4-7-21(19)8-5-11/h3,6,11H,4-5,7-8H2,1-2H3,(H,17,18)
InChIKeyIKXCNUNOMGNSER-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-5-methyl-N-(1-oxothian-4-yl)-1-benzothiophene-2-carboxamide
CID 107932536
N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122414298
tert-butyl (2S)-3-cyclohexyl-2-[(3,4-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]propanoate
CID 166358010
N-cyclopropyl-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084641
N-cycloheptyl-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446
(3S,4S)-1-(3,4-dimethylthieno[2,3-b]pyridine-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122112165
5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide
CID 113480531
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
5-methyl-N-(4-methylcyclohexyl)-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344703
1-chloro-N-(1-oxothian-4-yl)isoquinoline-4-carboxamide
CID 106766369
4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide
CID 116672909

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 154752601) is 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccnc2sc(C(=O)NC3CCS(=O)CC3)c(C)c12.
What is the InChIKey of 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IKXCNUNOMGNSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9-3-6-16-15-12(9)10(2)13(20-15)14(18)17-11-4-7-21(19)8-5-11/h3,6,11H,4-5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1-oxothian-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 154752601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).