N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide

C19H20ClN5S — CID 143370501

IUPACN-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
SMILESS=C(Nc1cccc(Cl)c1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H20ClN5S/c20-14-3-1-4-15(10-14)23-19(26)25-8-2-5-17(12-25)22-16-6-7-18-13(9-16)11-21-24-18/h1,3-4,6-7,9-11,17,22H,2,5,8,12H2,(H,21,24)(H,23,26)
InChIKeyRALUMHMVQKWQDE-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.49
Rot. Bonds3

About N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide

N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide (PubChem CID 143370501) has the molecular formula C19H20ClN5S and a molecular weight of 385.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
PubChem CID143370501
Molecular FormulaC19H20ClN5S
Molecular Weight385.92 g/mol
Exact Mass385.11
IUPAC NameN-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
SMILESS=C(Nc1cccc(Cl)c1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H20ClN5S/c20-14-3-1-4-15(10-14)23-19(26)25-8-2-5-17(12-25)22-16-6-7-18-13(9-16)11-21-24-18/h1,3-4,6-7,9-11,17,22H,2,5,8,12H2,(H,21,24)(H,23,26)
InChIKeyRALUMHMVQKWQDE-UHFFFAOYSA-N
XLogP4.49
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.49
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-(2,6-dichlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide
CID 143370496
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-(3-chlorophenyl)-4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)piperidine-1-carbothioamide
CID 162665118
[3-(1H-indazol-5-ylamino)piperidin-1-yl]-pyridin-2-ylmethanone
CID 117073836
N-(3-chlorophenyl)-3-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223903
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
CID 134359779
N-[1-(2-fluorophenyl)piperidin-3-yl]-1H-indazol-5-amine
CID 143370381
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-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-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide (CID 143370501) is N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide is S=C(Nc1cccc(Cl)c1)N1CCCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
The InChIKey is RALUMHMVQKWQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5S/c20-14-3-1-4-15(10-14)23-19(26)25-8-2-5-17(12-25)22-16-6-7-18-13(9-16)11-21-24-18/h1,3-4,6-7,9-11,17,22H,2,5,8,12H2,(H,21,24)(H,23,26).
What are the key properties of N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide?
N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide has a molecular weight of 385.92 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1H-indazol-5-ylamino)piperidine-1-carbothioamide is sourced from PubChem (CID 143370501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).