N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide

C19H19Cl2N5S — CID 143370496

IUPACN-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
SMILESS=C(Nc1c(Cl)cccc1Cl)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H19Cl2N5S/c20-15-4-1-5-16(21)18(15)24-19(27)26-8-2-3-14(11-26)23-13-6-7-17-12(9-13)10-22-25-17/h1,4-7,9-10,14,23H,2-3,8,11H2,(H,22,25)(H,24,27)
InChIKeyJLVYVZVKZNSJNK-UHFFFAOYSA-N
MW420.37 g/mol
LogP5.14
Rot. Bonds3

About N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide

N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide (PubChem CID 143370496) has the molecular formula C19H19Cl2N5S and a molecular weight of 420.37 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
PubChem CID143370496
Molecular FormulaC19H19Cl2N5S
Molecular Weight420.37 g/mol
Exact Mass419.07
IUPAC NameN-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
SMILESS=C(Nc1c(Cl)cccc1Cl)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H19Cl2N5S/c20-15-4-1-5-16(21)18(15)24-19(27)26-8-2-3-14(11-26)23-13-6-7-17-12(9-13)10-22-25-17/h1,4-7,9-10,14,23H,2-3,8,11H2,(H,22,25)(H,24,27)
InChIKeyJLVYVZVKZNSJNK-UHFFFAOYSA-N
XLogP5.14
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.37
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
CID 143370501
[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
CID 117073836
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[1-[4-chloro-6-methyl-5-(oxidoamino)pyrimidin-2-yl]piperidin-3-yl]-1H-indazol-5-amine
CID 143370615
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
2-(4-bromo-2-fluorophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone
CID 117073165
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
2-[4-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 25009893

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide (CID 143370496) is N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide is S=C(Nc1c(Cl)cccc1Cl)N1CCCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
The InChIKey is JLVYVZVKZNSJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5S/c20-15-4-1-5-16(21)18(15)24-19(27)26-8-2-3-14(11-26)23-13-6-7-17-12(9-13)10-22-25-17/h1,4-7,9-10,14,23H,2-3,8,11H2,(H,22,25)(H,24,27).
What are the key properties of N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide has a molecular weight of 420.37 g/mol, XLogP of 5.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide is sourced from PubChem (CID 143370496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).