(2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone

C16H10Cl2N2OS — CID 1482538

IUPAC(2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-10(8-13(12)18)15(21)14-9-19-16(22-14)20-11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeySVEZLFIDJBZDOE-UHFFFAOYSA-N
MW349.24 g/mol
LogP5.42
Rot. Bonds4

About (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone

(2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone (PubChem CID 1482538) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone
PubChem CID1482538
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC Name(2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-10(8-13(12)18)15(21)14-9-19-16(22-14)20-11-4-2-1-3-5-11/h1-9H,(H,19,20)
InChIKeySVEZLFIDJBZDOE-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.24
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{4-Amino-2-[(3-chlorophenyl)amino]-1,3-thiazol-5-yl}(4-fluorophenyl)methanone
CID 914283
N-(2-chloro-6-methylphenyl)-2-[(phenylcarbonyl)amino]-1,3-thiazole-5-carboxamide
CID 21911468
N-(2-chloro-6-methylphenyl)-2-(phenylamino)thiazole-5-carboxamide
CID 21911291
[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
[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl](2,4-dichlorophenyl)methanone
CID 4529125
(2-(2-Chloroanilino)-1,3-thiazol-5-yl)(4-chlorophenyl)methanone
CID 374056
(4-Chlorophenyl)[2-(phenylamino)-5-thiazolyl]methanone
CID 1482534
(2-Anilino-1,3-thiazol-5-yl)(4-fluorophenyl)methanone
CID 1482535
(4-Chlorophenyl)[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485897
(3,4-Dichlorophenyl)[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485901
[2-(2-Chloroanilino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485907

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone?
The IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone (CID 1482538) is (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone?
The InChIKey is SVEZLFIDJBZDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-12-7-6-10(8-13(12)18)15(21)14-9-19-16(22-14)20-11-4-2-1-3-5-11/h1-9H,(H,19,20).
What are the key properties of (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone?
(2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone has a molecular weight of 349.24 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-5-yl)-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 1482538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).