1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea

C17H23N3OS — CID 8622189

IUPAC1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea
SMILESO=C(Cc1ccc2c(c1)CCC2)NNC(=S)NC1CCCC1
InChIInChI=1S/C17H23N3OS/c21-16(19-20-17(22)18-15-6-1-2-7-15)11-12-8-9-13-4-3-5-14(13)10-12/h8-10,15H,1-7,11H2,(H,19,21)(H2,18,20,22)
InChIKeyMPEQCLFALRYIPJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.16
Rot. Bonds3

About 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea

1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea (PubChem CID 8622189) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea
PubChem CID8622189
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea
SMILESO=C(Cc1ccc2c(c1)CCC2)NNC(=S)NC1CCCC1
InChIInChI=1S/C17H23N3OS/c21-16(19-20-17(22)18-15-6-1-2-7-15)11-12-8-9-13-4-3-5-14(13)10-12/h8-10,15H,1-7,11H2,(H,19,21)(H2,18,20,22)
InChIKeyMPEQCLFALRYIPJ-UHFFFAOYSA-N
XLogP2.16
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.16
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

N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
1-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11930415
[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
CID 87566146
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320641
3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
1-cyclohexyl-3-[[2-(4-methylphenyl)sulfonylacetyl]amino]thiourea
CID 4287638

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea?
The IUPAC name of 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea (CID 8622189) is 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea.
What is the SMILES notation for 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea?
The canonical SMILES for 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea is O=C(Cc1ccc2c(c1)CCC2)NNC(=S)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea?
The InChIKey is MPEQCLFALRYIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c21-16(19-20-17(22)18-15-6-1-2-7-15)11-12-8-9-13-4-3-5-14(13)10-12/h8-10,15H,1-7,11H2,(H,19,21)(H2,18,20,22).
What are the key properties of 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea?
1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea has a molecular weight of 317.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea is sourced from PubChem (CID 8622189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).