N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H20N4OS — CID 53134309

IUPACN-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H20N4OS/c1-4-15-16(24-18(20-15)22-11-5-6-12-22)17(23)19-13-7-9-14(10-8-13)21(2)3/h5-12H,4H2,1-3H3,(H,19,23)
InChIKeyBRAVNZLOVYQWNN-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.81
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134309) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134309
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C18H20N4OS/c1-4-15-16(24-18(20-15)22-11-5-6-12-22)17(23)19-13-7-9-14(10-8-13)21(2)3/h5-12H,4H2,1-3H3,(H,19,23)
InChIKeyBRAVNZLOVYQWNN-UHFFFAOYSA-N
XLogP3.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134309) is N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BRAVNZLOVYQWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-4-15-16(24-18(20-15)22-11-5-6-12-22)17(23)19-13-7-9-14(10-8-13)21(2)3/h5-12H,4H2,1-3H3,(H,19,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-4-ethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).