5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C17H19N5O2S — CID 72899612

IUPAC5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1sc2ncnc(N3CCc4onc(C(=O)N(C)C)c4C3)c2c1C
InChIInChI=1S/C17H19N5O2S/c1-9-10(2)25-16-13(9)15(18-8-19-16)22-6-5-12-11(7-22)14(20-24-12)17(23)21(3)4/h8H,5-7H2,1-4H3
InChIKeyXGNZXSOTYXNBHH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.56
Rot. Bonds2

About 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 72899612) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID72899612
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCc1sc2ncnc(N3CCc4onc(C(=O)N(C)C)c4C3)c2c1C
InChIInChI=1S/C17H19N5O2S/c1-9-10(2)25-16-13(9)15(18-8-19-16)22-6-5-12-11(7-22)14(20-24-12)17(23)21(3)4/h8H,5-7H2,1-4H3
InChIKeyXGNZXSOTYXNBHH-UHFFFAOYSA-N
XLogP2.56
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide with MolForge

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Related Compounds

4-(((5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)thio)methyl)-3,5-dimethylisoxazole
CID 704147
5-(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydroisoxazolo[4,3-c]pyridine
CID 129609555
[5-(4-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 11952420
3-[[4-[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 9024400
4-[[4-[5-(4-Fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 43069714
5-(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56745940
N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 50980533
4-(ethylamino)-N,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56858607
1-[4-(6-Ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 21939516
4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45275623
[2-[(3-Methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814684
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814732

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 72899612) is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is Cc1sc2ncnc(N3CCc4onc(C(=O)N(C)C)c4C3)c2c1C.
What is the InChIKey of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is XGNZXSOTYXNBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-9-10(2)25-16-13(9)15(18-8-19-16)22-6-5-12-11(7-22)14(20-24-12)17(23)21(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 72899612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).