N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C16H17N3O2S2 — CID 71870637

IUPACN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC3OCCc4sccc43)cc12
InChIInChI=1S/C16H17N3O2S2/c1-9-11-7-14(23-16(11)19(2)18-9)15(20)17-8-12-10-4-6-22-13(10)3-5-21-12/h4,6-7,12H,3,5,8H2,1-2H3,(H,17,20)
InChIKeyDENZKPWFCJSVJB-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.05
Rot. Bonds3

About N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 71870637) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID71870637
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC3OCCc4sccc43)cc12
InChIInChI=1S/C16H17N3O2S2/c1-9-11-7-14(23-16(11)19(2)18-9)15(20)17-8-12-10-4-6-22-13(10)3-5-21-12/h4,6-7,12H,3,5,8H2,1-2H3,(H,17,20)
InChIKeyDENZKPWFCJSVJB-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119512490
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
1,3-dimethyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120829599
1-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527607
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305037
4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 43241773
N-(1,3-benzothiazol-2-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 38135979
N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17457035
1,3-dimethyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119557464
1,3-dimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304942

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 71870637) is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCC3OCCc4sccc43)cc12.
What is the InChIKey of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is DENZKPWFCJSVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-9-11-7-14(23-16(11)19(2)18-9)15(20)17-8-12-10-4-6-22-13(10)3-5-21-12/h4,6-7,12H,3,5,8H2,1-2H3,(H,17,20).
What are the key properties of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 347.47 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 71870637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).