1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea

C19H21N3O2S — CID 2424225

IUPAC1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNC1=C[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-23-12-11-20-19(25)22-21-16-13-18(14-7-3-2-4-8-14)24-17-10-6-5-9-15(16)17/h2-10,13,18,21H,11-12H2,1H3,(H2,20,22,25)/t18-/m0/s1
InChIKeyMCVGTQRQEISPGM-SFHVURJKSA-N
MW355.46 g/mol
LogP2.78
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea

1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea (PubChem CID 2424225) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea
PubChem CID2424225
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea
SMILESCOCCNC(=S)NNC1=C[C@@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C19H21N3O2S/c1-23-12-11-20-19(25)22-21-16-13-18(14-7-3-2-4-8-14)24-17-10-6-5-9-15(16)17/h2-10,13,18,21H,11-12H2,1H3,(H2,20,22,25)/t18-/m0/s1
InChIKeyMCVGTQRQEISPGM-SFHVURJKSA-N
XLogP2.78
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-3-[[(4R)-4-phenylcyclohexen-1-yl]amino]thiourea
CID 2424796
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-[[(4S)-4-tert-butylcyclohexen-1-yl]amino]-3-(2-methoxyethyl)thiourea
CID 2424801
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-benzyl-3-(3-methoxypropyl)thiourea
CID 19649292
1-(2-methoxyethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 6038171
2-(anilinocarbamothioylamino)ethyl-dimethylazanium
CID 8657059
1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696634
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methylcarbamothioylamino]thiourea
CID 8654299
1-[1-(furan-2-yl)ethenylamino]-3-(2-methoxyethyl)thiourea
CID 2342479
1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
CID 19711809
1-[1-(2-fluorophenyl)ethenylamino]-3-(2-methoxyethyl)thiourea
CID 2489635

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea (CID 2424225) is 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea is COCCNC(=S)NNC1=C[C@@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea?
The InChIKey is MCVGTQRQEISPGM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-23-12-11-20-19(25)22-21-16-13-18(14-7-3-2-4-8-14)24-17-10-6-5-9-15(16)17/h2-10,13,18,21H,11-12H2,1H3,(H2,20,22,25)/t18-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea?
1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea has a molecular weight of 355.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[[(2S)-2-phenyl-2H-chromen-4-yl]amino]thiourea is sourced from PubChem (CID 2424225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).