methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C15H15N3O4S — CID 24951179

IUPACmethyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Nc2ccc(C(C)=O)cc2)nc1C
InChIInChI=1S/C15H15N3O4S/c1-8-12(13(20)22-3)23-15(16-8)18-14(21)17-11-6-4-10(5-7-11)9(2)19/h4-7H,1-3H3,(H2,16,17,18,21)
InChIKeyADLWOWZWWRISFE-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.08
Rot. Bonds4

About methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 24951179) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID24951179
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Namemethyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Nc2ccc(C(C)=O)cc2)nc1C
InChIInChI=1S/C15H15N3O4S/c1-8-12(13(20)22-3)23-15(16-8)18-14(21)17-11-6-4-10(5-7-11)9(2)19/h4-7H,1-3H3,(H2,16,17,18,21)
InChIKeyADLWOWZWWRISFE-UHFFFAOYSA-N
XLogP3.08
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 24951179) is methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)Nc2ccc(C(C)=O)cc2)nc1C.
What is the InChIKey of methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ADLWOWZWWRISFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-8-12(13(20)22-3)23-15(16-8)18-14(21)17-11-6-4-10(5-7-11)9(2)19/h4-7H,1-3H3,(H2,16,17,18,21).
What are the key properties of methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 333.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-acetylphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 24951179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).