[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone

C16H10Cl3N3OS — CID 4529125

IUPAC[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3N3OS/c17-8-1-4-10(5-2-8)21-16-22-15(20)14(24-16)13(23)11-6-3-9(18)7-12(11)19/h1-7H,20H2,(H,21,22)
InChIKeyGYSCWIPOKBIIGE-UHFFFAOYSA-N
MW398.70 g/mol
LogP5.66
Rot. Bonds4

About [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone

[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 4529125) has the molecular formula C16H10Cl3N3OS and a molecular weight of 398.70 g/mol. Its IUPAC name is [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone
PubChem CID4529125
Molecular FormulaC16H10Cl3N3OS
Molecular Weight398.70 g/mol
Exact Mass396.96
IUPAC Name[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3N3OS/c17-8-1-4-10(5-2-8)21-16-22-15(20)14(24-16)13(23)11-6-3-9(18)7-12(11)19/h1-7H,20H2,(H,21,22)
InChIKeyGYSCWIPOKBIIGE-UHFFFAOYSA-N
XLogP5.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.70
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone with MolForge

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Related Compounds

{4-Amino-2-[(3-chlorophenyl)amino]-1,3-thiazol-5-yl}(4-fluorophenyl)methanone
CID 914283
[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
{4-Amino-2-[(4-Chlorophenyl)amino]-1,3-Thiazol-5-Yl}(3-Nitrophenyl)methanone
CID 1484830
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150
(2-Anilino-1,3-thiazol-5-yl)(3,4-dichlorophenyl)methanone
CID 1482538
[2-(3,4-Dichloroanilino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485936
[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl](4-chlorophenyl)methanone
CID 399620
(2-(2-Chloroanilino)-1,3-thiazol-5-yl)(4-chlorophenyl)methanone
CID 374056
(4-Chlorophenyl)[2-(phenylamino)-5-thiazolyl]methanone
CID 1482534
[2-(2-Chloroanilino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485907
[4-Amino-2-(2-fluoroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 931219

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone (CID 4529125) is [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone is Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is GYSCWIPOKBIIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3OS/c17-8-1-4-10(5-2-8)21-16-22-15(20)14(24-16)13(23)11-6-3-9(18)7-12(11)19/h1-7H,20H2,(H,21,22).
What are the key properties of [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone?
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 398.70 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 4529125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).