N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

C17H14ClN3OS — CID 877530

IUPACN-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11(22)19-14-6-8-15(9-7-14)20-17-21-16(10-23-17)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyCYKQDVWZNIULBK-UHFFFAOYSA-N
MW343.84 g/mol
LogP5.17
Rot. Bonds4

About N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 877530) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID877530
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H14ClN3OS/c1-11(22)19-14-6-8-15(9-7-14)20-17-21-16(10-23-17)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,22)(H,20,21)
InChIKeyCYKQDVWZNIULBK-UHFFFAOYSA-N
XLogP5.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.84
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 877530) is N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is CYKQDVWZNIULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-11(22)19-14-6-8-15(9-7-14)20-17-21-16(10-23-17)12-2-4-13(18)5-3-12/h2-10H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 343.84 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 877530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).