[2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione

C19H15ClN2S — CID 10268763

IUPAC[2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione
SMILESCc1ccccc1C(=S)c1ccc(Nc2ccccn2)cc1Cl
InChIInChI=1S/C19H15ClN2S/c1-13-6-2-3-7-15(13)19(23)16-10-9-14(12-17(16)20)22-18-8-4-5-11-21-18/h2-12H,1H3,(H,21,22)
InChIKeyOIMUUPIUFWPVHE-UHFFFAOYSA-N
MW338.86 g/mol
LogP5.55
Rot. Bonds4

About [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione

[2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione (PubChem CID 10268763) has the molecular formula C19H15ClN2S and a molecular weight of 338.86 g/mol. Its IUPAC name is [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione.

Molecular Properties

Compound Name[2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione
PubChem CID10268763
Molecular FormulaC19H15ClN2S
Molecular Weight338.86 g/mol
Exact Mass338.06
IUPAC Name[2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione
SMILESCc1ccccc1C(=S)c1ccc(Nc2ccccn2)cc1Cl
InChIInChI=1S/C19H15ClN2S/c1-13-6-2-3-7-15(13)19(23)16-10-9-14(12-17(16)20)22-18-8-4-5-11-21-18/h2-12H,1H3,(H,21,22)
InChIKeyOIMUUPIUFWPVHE-UHFFFAOYSA-N
XLogP5.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.86
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[2-chloro-4-(pyrimidin-5-ylamino)phenyl]-(2-methylphenyl)methanethione
CID 18460761
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
N-(3-methylphenyl)pyridin-2-amine
CID 12695761
N-[[2-chloro-4-(4-chloroanilino)phenyl]-(2-methylphenyl)methylidene]hydroxylamine
CID 87309448
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
[4-(4-bromoanilino)-2-chlorophenyl]-(4-ethoxy-2-methylphenyl)methanethione
CID 141030970
2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 90997586
1-(2-chloro-6-methylphenyl)-3-pyridin-2-ylthiourea
CID 10683964
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
CID 10111445

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione?
The IUPAC name of [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione (CID 10268763) is [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione.
What is the SMILES notation for [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione?
The canonical SMILES for [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione is Cc1ccccc1C(=S)c1ccc(Nc2ccccn2)cc1Cl.
What is the InChIKey of [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione?
The InChIKey is OIMUUPIUFWPVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2S/c1-13-6-2-3-7-15(13)19(23)16-10-9-14(12-17(16)20)22-18-8-4-5-11-21-18/h2-12H,1H3,(H,21,22).
What are the key properties of [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione?
[2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione has a molecular weight of 338.86 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(pyridin-2-ylamino)phenyl]-(2-methylphenyl)methanethione is sourced from PubChem (CID 10268763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).