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

C13H15N3OS — CID 2474355

IUPACN-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C13H15N3OS/c1-9(17)15-7-6-10-2-4-11(5-3-10)12-8-18-13(14)16-12/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKKAVKGNRQLTMQU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds4

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

N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (PubChem CID 2474355) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
PubChem CID2474355
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C13H15N3OS/c1-9(17)15-7-6-10-2-4-11(5-3-10)12-8-18-13(14)16-12/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKKAVKGNRQLTMQU-UHFFFAOYSA-N
XLogP2.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (CID 2474355) is N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The InChIKey is KKAVKGNRQLTMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(17)15-7-6-10-2-4-11(5-3-10)12-8-18-13(14)16-12/h2-5,8H,6-7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 2474355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).