4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione

C16H17N3S — CID 834228

IUPAC4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione
SMILESNc1nc(=S)[nH]c2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H17N3S/c17-14-12-13(18-15(20)19-14)11-6-2-1-5-10(11)9-16(12)7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H3,17,18,19,20)
InChIKeyOCJSLYFNHADSHA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.76
Rot. Bonds

About 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione

4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione (PubChem CID 834228) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione.

Molecular Properties

Compound Name4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione
PubChem CID834228
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione
SMILESNc1nc(=S)[nH]c2c1C1(CCCC1)Cc1ccccc1-2
InChIInChI=1S/C16H17N3S/c17-14-12-13(18-15(20)19-14)11-6-2-1-5-10(11)9-16(12)7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H3,17,18,19,20)
InChIKeyOCJSLYFNHADSHA-UHFFFAOYSA-N
XLogP3.76
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-thione
CID 911732
4-amino-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-2(6H)-thione
CID 827011
2-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-4(6H)-thione
CID 911834
2-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-4(6H)-thione
CID 1572132
2-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentane]-4(6H)-thione
CID 2055309
(5S)-5-butyl-5-ethyl-2-phenyl-1,6-dihydrobenzo[h]quinazoline-4-thione
CID 2055335
4-amino-5-(4-phenylbutyl)-6-propyl-1H-pyrimidine-2-thione
CID 3891842
5-Butyl-5-ethyl-2-phenyl-1,6-dihydrobenzo[h]quinazoline-4-thione
CID 6612004
(3-ethyl-3-methyl-4H-isoquinolin-1-yl)thiourea
CID 15272833
5,7-dimethyl-4-phenyl-3H-pyrido[2,3-d]pyrimidine-2-thione
CID 24052491
4-amino-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 82079025
4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione
CID 82089313

Frequently Asked Questions

What is the IUPAC name of 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione?
The IUPAC name of 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione (CID 834228) is 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione.
What is the SMILES notation for 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione?
The canonical SMILES for 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione is Nc1nc(=S)[nH]c2c1C1(CCCC1)Cc1ccccc1-2.
What is the InChIKey of 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione?
The InChIKey is OCJSLYFNHADSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-14-12-13(18-15(20)19-14)11-6-2-1-5-10(11)9-16(12)7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H3,17,18,19,20).
What are the key properties of 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione?
4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione has a molecular weight of 283.40 g/mol, XLogP of 3.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-thione is sourced from PubChem (CID 834228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).