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

C20H27N3O2S — CID 118788721

IUPAC6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCC1(NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1
InChIInChI=1S/C20H27N3O2S/c1-4-6-20(7-8-20)21-19(24)17-12-26-18-11-23(9-5-15(17)18)10-16-13(2)22-25-14(16)3/h12H,4-11H2,1-3H3,(H,21,24)
InChIKeyDTGDMKYSTKDUMS-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.97
Rot. Bonds6

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

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118788721) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118788721
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCCC1(NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1
InChIInChI=1S/C20H27N3O2S/c1-4-6-20(7-8-20)21-19(24)17-12-26-18-11-23(9-5-15(17)18)10-16-13(2)22-25-14(16)3/h12H,4-11H2,1-3H3,(H,21,24)
InChIKeyDTGDMKYSTKDUMS-UHFFFAOYSA-N
XLogP3.97
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.97
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-[(2R)-hexan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118789257
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
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-[(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-(1-pyrrolidin-1-ylpropan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794354
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)-2-hydroxy-3-methoxypropyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126442887
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-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118766521
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 126444514
N-[(2R)-1-amino-1-oxobutan-2-yl]-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126434514
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 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 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) is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCC1(NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)CC1.
What is the InChIKey of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is DTGDMKYSTKDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-6-20(7-8-20)21-19(24)17-12-26-18-11-23(9-5-15(17)18)10-16-13(2)22-25-14(16)3/h12H,4-11H2,1-3H3,(H,21,24).
What are the key properties of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118788721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).