(2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone

C16H9ClF2N2OS — CID 122186997

IUPAC(2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2F)s1)c1ccccc1Cl
InChIInChI=1S/C16H9ClF2N2OS/c17-11-4-2-1-3-10(11)15(22)14-8-20-16(23-14)21-13-6-5-9(18)7-12(13)19/h1-8H,(H,20,21)
InChIKeyMSPJXCARRAHCLI-UHFFFAOYSA-N
MW350.78 g/mol
LogP5.05
Rot. Bonds4

About (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone

(2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone (PubChem CID 122186997) has the molecular formula C16H9ClF2N2OS and a molecular weight of 350.78 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone
PubChem CID122186997
Molecular FormulaC16H9ClF2N2OS
Molecular Weight350.78 g/mol
Exact Mass350.01
IUPAC Name(2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Nc2ccc(F)cc2F)s1)c1ccccc1Cl
InChIInChI=1S/C16H9ClF2N2OS/c17-11-4-2-1-3-10(11)15(22)14-8-20-16(23-14)21-13-6-5-9(18)7-12(13)19/h1-8H,(H,20,21)
InChIKeyMSPJXCARRAHCLI-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.78
LogP ≤ 55.05
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
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
(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
[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
[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 (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone (CID 122186997) is (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(Nc2ccc(F)cc2F)s1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone?
The InChIKey is MSPJXCARRAHCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2OS/c17-11-4-2-1-3-10(11)15(22)14-8-20-16(23-14)21-13-6-5-9(18)7-12(13)19/h1-8H,(H,20,21).
What are the key properties of (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone?
(2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone has a molecular weight of 350.78 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(2,4-difluoroanilino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 122186997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).