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

C13H15N3OS — CID 4850377

IUPACN-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide
SMILESC/N=c1\scc(-c2ccc(NC(C)=O)cc2)n1C
InChIInChI=1S/C13H15N3OS/c1-9(17)15-11-6-4-10(5-7-11)12-8-18-13(14-2)16(12)3/h4-8H,1-3H3,(H,15,17)/b14-13-
InChIKeyFKVPCTJEPBSBSU-YPKPFQOOSA-N
MW261.35 g/mol
LogP2.24
Rot. Bonds2

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

N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 4850377) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID4850377
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide
SMILESC/N=c1\scc(-c2ccc(NC(C)=O)cc2)n1C
InChIInChI=1S/C13H15N3OS/c1-9(17)15-11-6-4-10(5-7-11)12-8-18-13(14-2)16(12)3/h4-8H,1-3H3,(H,15,17)/b14-13-
InChIKeyFKVPCTJEPBSBSU-YPKPFQOOSA-N
XLogP2.24
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide (CID 4850377) is N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide is C/N=c1\scc(-c2ccc(NC(C)=O)cc2)n1C.
What is the InChIKey of N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is FKVPCTJEPBSBSU-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(17)15-11-6-4-10(5-7-11)12-8-18-13(14-2)16(12)3/h4-8H,1-3H3,(H,15,17)/b14-13-.
What are the key properties of N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide?
N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-2-methylimino-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 4850377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).