1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea

C17H22N4O3S — CID 8683796

IUPAC1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea
SMILESCOc1ccc(NC(=S)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-11-7-9-17(10-8-11)14(22)21(16(23)19-17)20-15(25)18-12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H2,18,20,25)
InChIKeyOBJVONIPQKXKMO-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.40
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea

1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea (PubChem CID 8683796) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea
PubChem CID8683796
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea
SMILESCOc1ccc(NC(=S)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1
InChIInChI=1S/C17H22N4O3S/c1-11-7-9-17(10-8-11)14(22)21(16(23)19-17)20-15(25)18-12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H2,18,20,25)
InChIKeyOBJVONIPQKXKMO-UHFFFAOYSA-N
XLogP2.40
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea
CID 8683808
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011692
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 51559695
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
CID 27802506
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
1-(3,5-dimethoxybenzoyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)piperidine-4-carboxamide
CID 55719853
1-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8766829
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 24545817
6-methoxy-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 24545842
4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide
CID 16573967
1-(4-methoxyphenyl)-3-(6-methyl-3-oxo-2,5-dihydro-1,2,4-triazin-4-yl)thiourea
CID 141494861
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea (CID 8683796) is 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea is COc1ccc(NC(=S)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea?
The InChIKey is OBJVONIPQKXKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-11-7-9-17(10-8-11)14(22)21(16(23)19-17)20-15(25)18-12-3-5-13(24-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H2,18,20,25).
What are the key properties of 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea?
1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea has a molecular weight of 362.46 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)thiourea is sourced from PubChem (CID 8683796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).