N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C18H18N4O2S — CID 78864660

IUPACN-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C(N)=O)c2ccccc2)c(C)n1-c1nccs1
InChIInChI=1S/C18H18N4O2S/c1-11-10-14(12(2)22(11)18-20-8-9-25-18)17(24)21-15(16(19)23)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H2,19,23)(H,21,24)
InChIKeyWIJVYEZYWPVGCG-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.51
Rot. Bonds5

About N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 78864660) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID78864660
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C(N)=O)c2ccccc2)c(C)n1-c1nccs1
InChIInChI=1S/C18H18N4O2S/c1-11-10-14(12(2)22(11)18-20-8-9-25-18)17(24)21-15(16(19)23)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H2,19,23)(H,21,24)
InChIKeyWIJVYEZYWPVGCG-UHFFFAOYSA-N
XLogP2.51
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 78864660) is N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC(C(N)=O)c2ccccc2)c(C)n1-c1nccs1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is WIJVYEZYWPVGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-10-14(12(2)22(11)18-20-8-9-25-18)17(24)21-15(16(19)23)13-6-4-3-5-7-13/h3-10,15H,1-2H3,(H2,19,23)(H,21,24).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78864660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).