1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea

C13H18N2OS — CID 75416918

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea
SMILESCC(O)CNC(=S)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2OS/c1-9(16)8-14-13(17)15-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,16H,2-4,8H2,1H3,(H2,14,15,17)
InChIKeyOSCHEQPBYJAYDQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea

1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea (PubChem CID 75416918) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea
PubChem CID75416918
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea
SMILESCC(O)CNC(=S)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2OS/c1-9(16)8-14-13(17)15-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,16H,2-4,8H2,1H3,(H2,14,15,17)
InChIKeyOSCHEQPBYJAYDQ-UHFFFAOYSA-N
XLogP1.84
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705933
1-(3-chloro-2-methylphenyl)-3-(2,3-dihydro-1H-inden-5-yl)thiourea
CID 19648896
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
CID 109389453
N-(4-hydroxy-2-methylpentyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 111447952
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-3-methylbutan-1-ol
CID 115251818
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea (CID 75416918) is 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea is CC(O)CNC(=S)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea?
The InChIKey is OSCHEQPBYJAYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(16)8-14-13(17)15-12-6-5-10-3-2-4-11(10)7-12/h5-7,9,16H,2-4,8H2,1H3,(H2,14,15,17).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea?
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-hydroxypropyl)thiourea has a molecular weight of 250.37 g/mol, XLogP of 1.84, 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-inden-5-yl)-3-(2-hydroxypropyl)thiourea is sourced from PubChem (CID 75416918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).