2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

C19H23N3O2S — CID 49326066

IUPAC2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)s1
InChIInChI=1S/C19H23N3O2S/c1-4-15-20-13(3)17(25-15)18(23)21-14-9-7-8-12(2)16(14)19(24)22-10-5-6-11-22/h7-9H,4-6,10-11H2,1-3H3,(H,21,23)
InChIKeyDIRYIHQSLMDWNV-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.81
Rot. Bonds4

About 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 49326066) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID49326066
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)s1
InChIInChI=1S/C19H23N3O2S/c1-4-15-20-13(3)17(25-15)18(23)21-14-9-7-8-12(2)16(14)19(24)22-10-5-6-11-22/h7-9H,4-6,10-11H2,1-3H3,(H,21,23)
InChIKeyDIRYIHQSLMDWNV-UHFFFAOYSA-N
XLogP3.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide (CID 49326066) is 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DIRYIHQSLMDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-15-20-13(3)17(25-15)18(23)21-14-9-7-8-12(2)16(14)19(24)22-10-5-6-11-22/h7-9H,4-6,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49326066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).