[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea

C18H21N3O2S — CID 71898046

IUPAC[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccccc1C(CC(=O)N1CCc2sccc2C1)NC(N)=O
InChIInChI=1S/C18H21N3O2S/c1-12-4-2-3-5-14(12)15(20-18(19)23)10-17(22)21-8-6-16-13(11-21)7-9-24-16/h2-5,7,9,15H,6,8,10-11H2,1H3,(H3,19,20,23)
InChIKeyDZQBSEYSJXLBBO-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.74
Rot. Bonds4

About [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea

[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea (PubChem CID 71898046) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea
PubChem CID71898046
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea
SMILESCc1ccccc1C(CC(=O)N1CCc2sccc2C1)NC(N)=O
InChIInChI=1S/C18H21N3O2S/c1-12-4-2-3-5-14(12)15(20-18(19)23)10-17(22)21-8-6-16-13(11-21)7-9-24-16/h2-5,7,9,15H,6,8,10-11H2,1H3,(H3,19,20,23)
InChIKeyDZQBSEYSJXLBBO-UHFFFAOYSA-N
XLogP2.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea (CID 71898046) is [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea is Cc1ccccc1C(CC(=O)N1CCc2sccc2C1)NC(N)=O.
What is the InChIKey of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea?
The InChIKey is DZQBSEYSJXLBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-4-2-3-5-14(12)15(20-18(19)23)10-17(22)21-8-6-16-13(11-21)7-9-24-16/h2-5,7,9,15H,6,8,10-11H2,1H3,(H3,19,20,23).
What are the key properties of [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea?
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea has a molecular weight of 343.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-(2-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 71898046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).