(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione

C21H23N3O2S — CID 124838181

IUPAC(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2S/c1-21(15-7-8-15)19(25)24(20(26)22-21)13-23-11-9-17-16(10-12-27-17)18(23)14-5-3-2-4-6-14/h2-6,10,12,15,18H,7-9,11,13H2,1H3,(H,22,26)/t18-,21-/m1/s1
InChIKeyDMSFTNSYTCPTQA-WIYYLYMNSA-N
MW381.50 g/mol
LogP3.37
Rot. Bonds4

About (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione

(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 124838181) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione
PubChem CID124838181
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione
SMILESC[C@]1(C2CC2)NC(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O
InChIInChI=1S/C21H23N3O2S/c1-21(15-7-8-15)19(25)24(20(26)22-21)13-23-11-9-17-16(10-12-27-17)18(23)14-5-3-2-4-6-14/h2-6,10,12,15,18H,7-9,11,13H2,1H3,(H,22,26)/t18-,21-/m1/s1
InChIKeyDMSFTNSYTCPTQA-WIYYLYMNSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 46594483
5-fluoro-1-[[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]indole-2,3-dione
CID 31429387
2-[(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]phthalazin-1-one
CID 42890741
3-[[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9320549
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
8-tert-butyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55429540
(5S)-3-[(4-benzhydrylpiperazin-1-yl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9193268
(5R)-3-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 25478161
N-benzyl-N-methyl-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55432262
3-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17474158
N-(4-methylphenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492704
6-methyl-3-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55429659

Frequently Asked Questions

What is the IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione (CID 124838181) is (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione is C[C@]1(C2CC2)NC(=O)N(CN2CCc3sccc3[C@H]2c2ccccc2)C1=O.
What is the InChIKey of (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is DMSFTNSYTCPTQA-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-21(15-7-8-15)19(25)24(20(26)22-21)13-23-11-9-17-16(10-12-27-17)18(23)14-5-3-2-4-6-14/h2-6,10,12,15,18H,7-9,11,13H2,1H3,(H,22,26)/t18-,21-/m1/s1.
What are the key properties of (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 381.50 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-cyclopropyl-5-methyl-3-[[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124838181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).