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

C17H18BrN3O2S — CID 30455126

IUPAC[(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea
SMILESNC(=O)N[C@H](CC(=O)N1CCc2sccc2C1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O2S/c18-13-3-1-2-11(8-13)14(20-17(19)23)9-16(22)21-6-4-15-12(10-21)5-7-24-15/h1-3,5,7-8,14H,4,6,9-10H2,(H3,19,20,23)/t14-/m1/s1
InChIKeyWHLYVLZTPUJRET-CQSZACIVSA-N
MW408.32 g/mol
LogP3.19
Rot. Bonds4

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

[(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea (PubChem CID 30455126) has the molecular formula C17H18BrN3O2S and a molecular weight of 408.32 g/mol. Its IUPAC name is [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea
PubChem CID30455126
Molecular FormulaC17H18BrN3O2S
Molecular Weight408.32 g/mol
Exact Mass407.03
IUPAC Name[(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea
SMILESNC(=O)N[C@H](CC(=O)N1CCc2sccc2C1)c1cccc(Br)c1
InChIInChI=1S/C17H18BrN3O2S/c18-13-3-1-2-11(8-13)14(20-17(19)23)9-16(22)21-6-4-15-12(10-21)5-7-24-15/h1-3,5,7-8,14H,4,6,9-10H2,(H3,19,20,23)/t14-/m1/s1
InChIKeyWHLYVLZTPUJRET-CQSZACIVSA-N
XLogP3.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-3-phenylpentan-1-one
CID 146123854
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]butanamide
CID 115676847
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-2-hydroxy-2-phenylacetamide
CID 111537774
2-(3-bromo-5-hydroxyphenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 166370524
(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-ethylanilino)ethanone
CID 43388508
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]ethanone
CID 51965745
2-[(6-bromoquinolin-4-yl)amino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 133285219
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-4-oxobutanamide
CID 56566530
2-(2-bromo-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253834
N-(4-bromo-2-methylphenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55876098

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea?
The IUPAC name of [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea (CID 30455126) is [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea.
What is the SMILES notation for [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea?
The canonical SMILES for [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea is NC(=O)N[C@H](CC(=O)N1CCc2sccc2C1)c1cccc(Br)c1.
What is the InChIKey of [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea?
The InChIKey is WHLYVLZTPUJRET-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18BrN3O2S/c18-13-3-1-2-11(8-13)14(20-17(19)23)9-16(22)21-6-4-15-12(10-21)5-7-24-15/h1-3,5,7-8,14H,4,6,9-10H2,(H3,19,20,23)/t14-/m1/s1.
What are the key properties of [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea?
[(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea has a molecular weight of 408.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]urea is sourced from PubChem (CID 30455126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).