5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

C18H17ClN2OS2 — CID 121479876

IUPAC5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCC3)c(-c3cccs3)c2c(C)c1Cl
InChIInChI=1S/C18H17ClN2OS2/c1-9-13-14(12-7-4-8-23-12)16(17(22)21-11-5-3-6-11)24-18(13)20-10(2)15(9)19/h4,7-8,11H,3,5-6H2,1-2H3,(H,21,22)
InChIKeyILZMVNJPAJYLRU-UHFFFAOYSA-N
MW376.93 g/mol
LogP5.58
Rot. Bonds3

About 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 121479876) has the molecular formula C18H17ClN2OS2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID121479876
Molecular FormulaC18H17ClN2OS2
Molecular Weight376.93 g/mol
Exact Mass376.05
IUPAC Name5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)NC3CCC3)c(-c3cccs3)c2c(C)c1Cl
InChIInChI=1S/C18H17ClN2OS2/c1-9-13-14(12-7-4-8-23-12)16(17(22)21-11-5-3-6-11)24-18(13)20-10(2)15(9)19/h4,7-8,11H,3,5-6H2,1-2H3,(H,21,22)
InChIKeyILZMVNJPAJYLRU-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542
3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382481
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
3-amino-5-chloro-4,6-dimethyl-N-(oxan-4-yl)thieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382488
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
N-cyclopentyl-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51338568
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
4-methyl-2-thiophen-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 55708434
N-cyclobutyl-3,4,5-trimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 122414298
N-(2-adamantyl)-5-chloro-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 121472182

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 121479876) is 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)NC3CCC3)c(-c3cccs3)c2c(C)c1Cl.
What is the InChIKey of 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ILZMVNJPAJYLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS2/c1-9-13-14(12-7-4-8-23-12)16(17(22)21-11-5-3-6-11)24-18(13)20-10(2)15(9)19/h4,7-8,11H,3,5-6H2,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide?
5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 121479876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).