1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea

C20H23N3OS — CID 9011573

IUPAC1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NNC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23N3OS/c1-13(2)14-8-10-18(11-9-14)21-20(25)23-22-19(24)17-7-6-15-4-3-5-16(15)12-17/h6-13H,3-5H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyWWHXEOMOOVGNFQ-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.93
Rot. Bonds3

About 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea

1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 9011573) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea
PubChem CID9011573
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NNC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H23N3OS/c1-13(2)14-8-10-18(11-9-14)21-20(25)23-22-19(24)17-7-6-15-4-3-5-16(15)12-17/h6-13H,3-5H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyWWHXEOMOOVGNFQ-UHFFFAOYSA-N
XLogP3.93
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9158031
1-[(3-methyl-4-nitrobenzoyl)amino]-3-(4-propan-2-ylphenyl)thiourea
CID 8001046
1-(4-propan-2-ylphenyl)-3-[[4-(trifluoromethoxy)benzoyl]amino]thiourea
CID 9158023
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784440
N-[4-[[(4-propan-2-ylbenzoyl)amino]carbamoyl]phenyl]acetamide
CID 17177513
1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-[(2R)-2-methylheptyl]thiourea
CID 9327938
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968360
N-[(4-aminophenyl)carbamothioyl]-4-propan-2-ylbenzamide;hydrochloride
CID 88531052
1-[(4-aminobenzoyl)amino]-3-(4-chlorophenyl)thiourea
CID 125468827
N-[(4-acetamidophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 17177592

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea (CID 9011573) is 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)NNC(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is WWHXEOMOOVGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13(2)14-8-10-18(11-9-14)21-20(25)23-22-19(24)17-7-6-15-4-3-5-16(15)12-17/h6-13H,3-5H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea?
1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 353.49 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indene-5-carbonylamino)-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 9011573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).