2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide

C17H18N4S — CID 58540990

IUPAC2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide
SMILESCCCc1cc(-c2cccnc2)c2n[nH]c(CC(N)=S)c2c1
InChIInChI=1S/C17H18N4S/c1-2-4-11-7-13(12-5-3-6-19-10-12)17-14(8-11)15(20-21-17)9-16(18)22/h3,5-8,10H,2,4,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyDVTFQBKLWSCPID-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.41
Rot. Bonds5

About 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide

2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide (PubChem CID 58540990) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide
PubChem CID58540990
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide
SMILESCCCc1cc(-c2cccnc2)c2n[nH]c(CC(N)=S)c2c1
InChIInChI=1S/C17H18N4S/c1-2-4-11-7-13(12-5-3-6-19-10-12)17-14(8-11)15(20-21-17)9-16(18)22/h3,5-8,10H,2,4,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyDVTFQBKLWSCPID-UHFFFAOYSA-N
XLogP3.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.41
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

(5-propyl-7-pyridin-3-yl-1H-indazol-3-yl)thiourea
CID 87418948
2-[5-(3-chloro-2-pyridinyl)-7-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethanethioamide
CID 58540675
3-(3-propylphenyl)pyridine
CID 69055272
2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5088040
2-(8-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanethioamide
CID 39134209
5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80521449
3-(1-ethylsulfonylpiperidin-4-yl)-5-pyridin-3-yl-2H-indazole-7-carboxamide
CID 59022800
3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20515010
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline
CID 143888698
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374

Frequently Asked Questions

What is the IUPAC name of 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide?
The IUPAC name of 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide (CID 58540990) is 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide.
What is the SMILES notation for 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide?
The canonical SMILES for 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide is CCCc1cc(-c2cccnc2)c2n[nH]c(CC(N)=S)c2c1.
What is the InChIKey of 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide?
The InChIKey is DVTFQBKLWSCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-2-4-11-7-13(12-5-3-6-19-10-12)17-14(8-11)15(20-21-17)9-16(18)22/h3,5-8,10H,2,4,9H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide?
2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide has a molecular weight of 310.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propyl-7-pyridin-3-yl-2H-indazol-3-yl)ethanethioamide is sourced from PubChem (CID 58540990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).