N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide

C26H29N3O4S — CID 3215357

IUPACN-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N(C(=O)c2sc(C)nc2C)C(C(=O)NCC2CCCO2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-17-24(34-18(2)28-17)26(31)29(20-11-7-12-21(15-20)32-3)23(19-9-5-4-6-10-19)25(30)27-16-22-13-8-14-33-22/h4-7,9-12,15,22-23H,8,13-14,16H2,1-3H3,(H,27,30)
InChIKeyAVHIORPNBWFSPS-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.45
Rot. Bonds8

About N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide

N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 3215357) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
PubChem CID3215357
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N(C(=O)c2sc(C)nc2C)C(C(=O)NCC2CCCO2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-17-24(34-18(2)28-17)26(31)29(20-11-7-12-21(15-20)32-3)23(19-9-5-4-6-10-19)25(30)27-16-22-13-8-14-33-22/h4-7,9-12,15,22-23H,8,13-14,16H2,1-3H3,(H,27,30)
InChIKeyAVHIORPNBWFSPS-UHFFFAOYSA-N
XLogP4.45
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-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-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide (CID 3215357) is N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide is COc1cccc(N(C(=O)c2sc(C)nc2C)C(C(=O)NCC2CCCO2)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AVHIORPNBWFSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-17-24(34-18(2)28-17)26(31)29(20-11-7-12-21(15-20)32-3)23(19-9-5-4-6-10-19)25(30)27-16-22-13-8-14-33-22/h4-7,9-12,15,22-23H,8,13-14,16H2,1-3H3,(H,27,30).
What are the key properties of N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3215357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).