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

C18H17N3OS — CID 2213076

IUPACN-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-13(22)20-16-9-7-15(8-10-16)17-12-23-18(21-17)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDWZZQUVZHPPEAZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.38
Rot. Bonds5

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

N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 2213076) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID2213076
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3OS/c1-13(22)20-16-9-7-15(8-10-16)17-12-23-18(21-17)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyDWZZQUVZHPPEAZ-UHFFFAOYSA-N
XLogP4.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 2213076) is N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc(NCc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is DWZZQUVZHPPEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13(22)20-16-9-7-15(8-10-16)17-12-23-18(21-17)19-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 2213076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).