N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C22H22N4O3S2 — CID 143187497

IUPACN-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCCNCCO)c1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C22H22N4O3S2/c27-12-10-23-9-5-11-26(21(28)20-8-4-13-30-20)22-24-18(15-31-22)19-14-17(25-29-19)16-6-2-1-3-7-16/h1-4,6-8,13-15,23,27H,5,9-12H2
InChIKeyHGAWHNOUNDPNKM-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.15
Rot. Bonds10

About N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 143187497) has the molecular formula C22H22N4O3S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID143187497
Molecular FormulaC22H22N4O3S2
Molecular Weight454.58 g/mol
Exact Mass454.11
IUPAC NameN-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(CCCNCCO)c1nc(-c2cc(-c3ccccc3)no2)cs1
InChIInChI=1S/C22H22N4O3S2/c27-12-10-23-9-5-11-26(21(28)20-8-4-13-30-20)22-24-18(15-31-22)19-14-17(25-29-19)16-6-2-1-3-7-16/h1-4,6-8,13-15,23,27H,5,9-12H2
InChIKeyHGAWHNOUNDPNKM-UHFFFAOYSA-N
XLogP4.15
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-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-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 143187497) is N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(c1cccs1)N(CCCNCCO)c1nc(-c2cc(-c3ccccc3)no2)cs1.
What is the InChIKey of N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is HGAWHNOUNDPNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S2/c27-12-10-23-9-5-11-26(21(28)20-8-4-13-30-20)22-24-18(15-31-22)19-14-17(25-29-19)16-6-2-1-3-7-16/h1-4,6-8,13-15,23,27H,5,9-12H2.
What are the key properties of N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethylamino)propyl]-N-[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 143187497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).