N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide

C15H19N3O2S — CID 39182076

IUPACN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)on1
InChIInChI=1S/C15H19N3O2S/c1-10-7-13(20-17-10)15(19)16-8-11(2)18-5-3-14-12(9-18)4-6-21-14/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyAJDNFAVPLIOOMG-LLVKDONJSA-N
MW305.40 g/mol
LogP2.22
Rot. Bonds4

About N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 39182076) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID39182076
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)on1
InChIInChI=1S/C15H19N3O2S/c1-10-7-13(20-17-10)15(19)16-8-11(2)18-5-3-14-12(9-18)4-6-21-14/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyAJDNFAVPLIOOMG-LLVKDONJSA-N
XLogP2.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 75493563
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-5-ethylthiophene-2-carboxamide
CID 51729385
5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
CID 120643908
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 46400419
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]naphthalene-1-carboxamide
CID 46449295
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methoxyacetamide
CID 94095217
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinoline-2-carboxamide
CID 39185572
1-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(pyridin-3-ylmethyl)urea
CID 94027060
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454576
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 46400297
N-[(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 94112899

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 39182076) is N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)on1.
What is the InChIKey of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is AJDNFAVPLIOOMG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-7-13(20-17-10)15(19)16-8-11(2)18-5-3-14-12(9-18)4-6-21-14/h4,6-7,11H,3,5,8-9H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 39182076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).