(4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C19H15N3O3S2 — CID 26008541

IUPAC(4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C19H15N3O3S2/c23-17-19(6-7-25-15-4-2-1-3-14(15)19)21-18(24)22(17)9-13-11-27-16(20-13)12-5-8-26-10-12/h1-5,8,10-11H,6-7,9H2,(H,21,24)/t19-/m0/s1
InChIKeyHYAJFCNCZALWBB-IBGZPJMESA-N
MW397.48 g/mol
LogP3.60
Rot. Bonds3

About (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 26008541) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID26008541
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC Name(4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C19H15N3O3S2/c23-17-19(6-7-25-15-4-2-1-3-14(15)19)21-18(24)22(17)9-13-11-27-16(20-13)12-5-8-26-10-12/h1-5,8,10-11H,6-7,9H2,(H,21,24)/t19-/m0/s1
InChIKeyHYAJFCNCZALWBB-IBGZPJMESA-N
XLogP3.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 52908678
(4R)-3'-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9105431
3'-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 46583103
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
(4R)-3'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9291202
(4S)-3'-[(2-chlorophenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2516578
(4S)-3'-[(3-methylquinoxalin-2-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 41131523
(4R)-3'-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 36509633
(4S)-3'-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 95582137
(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
3'-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 16610620

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 26008541) is (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1csc(-c2ccsc2)n1.
What is the InChIKey of (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is HYAJFCNCZALWBB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H15N3O3S2/c23-17-19(6-7-25-15-4-2-1-3-14(15)19)21-18(24)22(17)9-13-11-27-16(20-13)12-5-8-26-10-12/h1-5,8,10-11H,6-7,9H2,(H,21,24)/t19-/m0/s1.
What are the key properties of (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 397.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 26008541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).