1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea

C15H18N4O3S — CID 8788892

IUPAC1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H18N4O3S/c1-4-8-16-13(23)18-19-12(20)15(2,17-14(19)21)10-6-5-7-11(9-10)22-3/h4-7,9H,1,8H2,2-3H3,(H,17,21)(H2,16,18,23)/t15-/m1/s1
InChIKeySUXXFPRVOROXIW-OAHLLOKOSA-N
MW334.40 g/mol
LogP1.03
Rot. Bonds5

About 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea

1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea (PubChem CID 8788892) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea
PubChem CID8788892
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea
SMILESC=CCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O
InChIInChI=1S/C15H18N4O3S/c1-4-8-16-13(23)18-19-12(20)15(2,17-14(19)21)10-6-5-7-11(9-10)22-3/h4-7,9H,1,8H2,2-3H3,(H,17,21)(H2,16,18,23)/t15-/m1/s1
InChIKeySUXXFPRVOROXIW-OAHLLOKOSA-N
XLogP1.03
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8788971
2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55469957
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 41013708
1-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8788983
1-(3,4-dimethylphenyl)-3-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8683821
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8789006
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55437036
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41118340
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55468897
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 42921548

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea?
The IUPAC name of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea (CID 8788892) is 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea?
The canonical SMILES for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea is C=CCNC(=S)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O.
What is the InChIKey of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea?
The InChIKey is SUXXFPRVOROXIW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-4-8-16-13(23)18-19-12(20)15(2,17-14(19)21)10-6-5-7-11(9-10)22-3/h4-7,9H,1,8H2,2-3H3,(H,17,21)(H2,16,18,23)/t15-/m1/s1.
What are the key properties of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea?
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea has a molecular weight of 334.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea is sourced from PubChem (CID 8788892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).