6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane

C18H21ClN4S — CID 144988226

IUPAC6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane
SMILESCC.Cc1cc(Nc2cc(Sc3ccccc3)cc(Cl)n2)nn1C
InChIInChI=1S/C16H15ClN4S.C2H6/c1-11-8-16(20-21(11)2)19-15-10-13(9-14(17)18-15)22-12-6-4-3-5-7-12;1-2/h3-10H,1-2H3,(H,18,19,20);1-2H3
InChIKeyJZXBHLSYGHVUCI-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.70
Rot. Bonds4

About 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane

6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane (PubChem CID 144988226) has the molecular formula C18H21ClN4S and a molecular weight of 360.91 g/mol. Its IUPAC name is 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane.

Molecular Properties

Compound Name6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane
PubChem CID144988226
Molecular FormulaC18H21ClN4S
Molecular Weight360.91 g/mol
Exact Mass360.12
IUPAC Name6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane
SMILESCC.Cc1cc(Nc2cc(Sc3ccccc3)cc(Cl)n2)nn1C
InChIInChI=1S/C16H15ClN4S.C2H6/c1-11-8-16(20-21(11)2)19-15-10-13(9-14(17)18-15)22-12-6-4-3-5-7-12;1-2/h3-10H,1-2H3,(H,18,19,20);1-2H3
InChIKeyJZXBHLSYGHVUCI-UHFFFAOYSA-N
XLogP5.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.91
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(1,5-dimethylpyrazol-3-yl)pyridazin-3-amine
CID 130496932
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-6-methyl-4-phenylsulfanylpyridin-2-amine
CID 144988150
2-N-(2-methylsulfanylethyl)-6-N-(1-phenylimidazol-4-yl)-4-phenylsulfanylpyridine-2,6-diamine
CID 144988041
2-chloro-6-[(1,5-dimethylpyrazol-3-yl)amino]benzenecarbothioamide
CID 114253632
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
2-chloro-N-(1,5-dimethylpyrazol-3-yl)-9-propan-2-ylpurin-6-amine
CID 22309641
2-[(1,5-dimethylpyrazol-3-yl)amino]-6-methylsulfanylbenzoic acid
CID 114253919
1,1-dibenzyl-3-(1,5-dimethylpyrazol-3-yl)urea
CID 108813385
2-bromo-6-[(1,5-dimethylpyrazol-3-yl)amino]benzoic acid
CID 114253920
6-chloro-N-(5-phenyl-1H-pyrazol-3-yl)-4-piperidin-1-ylsulfanylpyridin-2-amine
CID 144988121
6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine
CID 129011481
6-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-4-pyridin-3-ylsulfanylpyridin-2-amine
CID 144988189

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane?
The IUPAC name of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane (CID 144988226) is 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane.
What is the SMILES notation for 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane?
The canonical SMILES for 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane is CC.Cc1cc(Nc2cc(Sc3ccccc3)cc(Cl)n2)nn1C.
What is the InChIKey of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane?
The InChIKey is JZXBHLSYGHVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S.C2H6/c1-11-8-16(20-21(11)2)19-15-10-13(9-14(17)18-15)22-12-6-4-3-5-7-12;1-2/h3-10H,1-2H3,(H,18,19,20);1-2H3.
What are the key properties of 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane?
6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane has a molecular weight of 360.91 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,5-dimethylpyrazol-3-yl)-4-phenylsulfanylpyridin-2-amine;ethane is sourced from PubChem (CID 144988226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).