[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea

C13H17N3OS — CID 87566146

IUPAC[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17N3OS/c14-13(18)16-15-12(17)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8H2,(H,15,17)(H3,14,16,18)
InChIKeyYURKKWRAFLJUCV-UHFFFAOYSA-N
MW263.37 g/mol
LogP0.97
Rot. Bonds2

About [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea

[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea (PubChem CID 87566146) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
PubChem CID87566146
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea
SMILESNC(=S)NNC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H17N3OS/c14-13(18)16-15-12(17)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8H2,(H,15,17)(H3,14,16,18)
InChIKeyYURKKWRAFLJUCV-UHFFFAOYSA-N
XLogP0.97
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 50.97
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'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 8622110
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
1-cyclopentyl-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]thiourea
CID 8622189
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
1-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-3-[(1R,2R,3S)-2,3-dimethylcyclohexyl]thiourea
CID 11930415
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 107845444
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]oxyacetic acid
CID 60667849
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
CID 39708207

Frequently Asked Questions

What is the IUPAC name of [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea?
The IUPAC name of [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea (CID 87566146) is [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea.
What is the SMILES notation for [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea?
The canonical SMILES for [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea is NC(=S)NNC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea?
The InChIKey is YURKKWRAFLJUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-13(18)16-15-12(17)8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8H2,(H,15,17)(H3,14,16,18).
What are the key properties of [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea?
[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea has a molecular weight of 263.37 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]thiourea is sourced from PubChem (CID 87566146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).