1,2-dihydroquinoline-4-carbothioamide

C10H10N2S — CID 54517373

IUPAC1,2-dihydroquinoline-4-carbothioamide
SMILESNC(=S)C1=CCNc2ccccc21
InChIInChI=1S/C10H10N2S/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-5,12H,6H2,(H2,11,13)
InChIKeyYNIMUYZLFZKAPT-UHFFFAOYSA-N
MW190.27 g/mol
LogP1.78
Rot. Bonds1

About 1,2-dihydroquinoline-4-carbothioamide

1,2-dihydroquinoline-4-carbothioamide (PubChem CID 54517373) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1,2-dihydroquinoline-4-carbothioamide.

Molecular Properties

Compound Name1,2-dihydroquinoline-4-carbothioamide
PubChem CID54517373
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1,2-dihydroquinoline-4-carbothioamide
SMILESNC(=S)C1=CCNc2ccccc21
InChIInChI=1S/C10H10N2S/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-5,12H,6H2,(H2,11,13)
InChIKeyYNIMUYZLFZKAPT-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)-1,2-dihydroquinoline
CID 145013105
1-[4-(N-tert-butyl-C-phenylcarbonimidoyl)piperazin-1-yl]-2-(1,2-dihydroquinolin-4-yl)ethane-1,2-dione
CID 143436506
3-amino-3-(1,2-dihydroquinolin-4-yloxy)pentan-2-one;hydrochloride
CID 139776608
N'-(1,2-dihydroquinolin-4-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 117062220
3-bromo-1,2-dihydroquinolin-4-ol
CID 123830845
2-(1,2-dihydroquinolin-4-ylmethyl)-1,1,1-trifluoro-4-methyl-4-phenylpentan-2-ol
CID 162549726
1-methyl-1-[(2-oxo-1H-indol-3-ylidene)amino]thiourea
CID 136914456
5,6-dihydrobenzo[i]phenanthridine
CID 165358005
10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene
CID 162419046
6-chloro-4-phenyl-1,2-dihydroquinoline
CID 175842137
thiourea;triphenylene
CID 134360806
biphenylene;hydron
CID 173077542

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroquinoline-4-carbothioamide?
The IUPAC name of 1,2-dihydroquinoline-4-carbothioamide (CID 54517373) is 1,2-dihydroquinoline-4-carbothioamide.
What is the SMILES notation for 1,2-dihydroquinoline-4-carbothioamide?
The canonical SMILES for 1,2-dihydroquinoline-4-carbothioamide is NC(=S)C1=CCNc2ccccc21.
What is the InChIKey of 1,2-dihydroquinoline-4-carbothioamide?
The InChIKey is YNIMUYZLFZKAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-5,12H,6H2,(H2,11,13).
What are the key properties of 1,2-dihydroquinoline-4-carbothioamide?
1,2-dihydroquinoline-4-carbothioamide has a molecular weight of 190.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroquinoline-4-carbothioamide is sourced from PubChem (CID 54517373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).