2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C18H23N3O2S — CID 47724492

IUPAC2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cnc(C(C)(C)C)s2)c1
InChIInChI=1S/C18H23N3O2S/c1-5-19-15(22)13-8-6-7-12(9-13)10-20-16(23)14-11-21-17(24-14)18(2,3)4/h6-9,11H,5,10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyBMQNVYXENHVVHN-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.12
Rot. Bonds5

About 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 47724492) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID47724492
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1cccc(CNC(=O)c2cnc(C(C)(C)C)s2)c1
InChIInChI=1S/C18H23N3O2S/c1-5-19-15(22)13-8-6-7-12(9-13)10-20-16(23)14-11-21-17(24-14)18(2,3)4/h6-9,11H,5,10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyBMQNVYXENHVVHN-UHFFFAOYSA-N
XLogP3.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 47724492) is 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CCNC(=O)c1cccc(CNC(=O)c2cnc(C(C)(C)C)s2)c1.
What is the InChIKey of 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BMQNVYXENHVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-5-19-15(22)13-8-6-7-12(9-13)10-20-16(23)14-11-21-17(24-14)18(2,3)4/h6-9,11H,5,10H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47724492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).