N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C18H23N3O2S — CID 118795787

IUPACN-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1noc(C)c1CN1CCc2c(C(=O)NC3CCC3)csc2C1
InChIInChI=1S/C18H23N3O2S/c1-11-15(12(2)23-20-11)8-21-7-6-14-16(10-24-17(14)9-21)18(22)19-13-4-3-5-13/h10,13H,3-9H2,1-2H3,(H,19,22)
InChIKeyDNTJAEVNZUEZII-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.19
Rot. Bonds4

About N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118795787) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118795787
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1noc(C)c1CN1CCc2c(C(=O)NC3CCC3)csc2C1
InChIInChI=1S/C18H23N3O2S/c1-11-15(12(2)23-20-11)8-21-7-6-14-16(10-24-17(14)9-21)18(22)19-13-4-3-5-13/h10,13H,3-9H2,1-2H3,(H,19,22)
InChIKeyDNTJAEVNZUEZII-UHFFFAOYSA-N
XLogP3.19
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-oxopiperidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765255
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118784679
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794354
N-[(3R)-1-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 126431122
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118788721
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2S)-1-methoxypropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118782235
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2R)-hexan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118789257
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 119065607
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-(1-methylpiperidin-4-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765062
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118770407
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118762959
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118777469

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118795787) is N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is Cc1noc(C)c1CN1CCc2c(C(=O)NC3CCC3)csc2C1.
What is the InChIKey of N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is DNTJAEVNZUEZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-15(12(2)23-20-11)8-21-7-6-14-16(10-24-17(14)9-21)18(22)19-13-4-3-5-13/h10,13H,3-9H2,1-2H3,(H,19,22).
What are the key properties of N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118795787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).