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

C16H11ClN2OS — CID 1482534

IUPAC(2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)15(20)14-10-18-16(21-14)19-13-4-2-1-3-5-13/h1-10H,(H,18,19)
InChIKeyUZSYZGBRKCTHPG-UHFFFAOYSA-N
MW314.80 g/mol
LogP4.77
Rot. Bonds4

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

(2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone (PubChem CID 1482534) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone
PubChem CID1482534
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name(2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)15(20)14-10-18-16(21-14)19-13-4-2-1-3-5-13/h1-10H,(H,18,19)
InChIKeyUZSYZGBRKCTHPG-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone (CID 1482534) is (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone?
The InChIKey is UZSYZGBRKCTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-12-8-6-11(7-9-12)15(20)14-10-18-16(21-14)19-13-4-2-1-3-5-13/h1-10H,(H,18,19).
What are the key properties of (2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone?
(2-anilino-1,3-thiazol-5-yl)-(4-chlorophenyl)methanone has a molecular weight of 314.80 g/mol, XLogP of 4.77, 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)-(4-chlorophenyl)methanone is sourced from PubChem (CID 1482534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).