N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

C20H21N3O3S — CID 1096805

IUPACN-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N(CCO)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-17-9-7-16(8-10-17)21-20-22-18(14-27-20)19(25)23(11-12-24)13-15-5-3-2-4-6-15/h2-10,14,24H,11-13H2,1H3,(H,21,22)
InChIKeyRXPQVSCTESQRBK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.53
Rot. Bonds8

About N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide

N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 1096805) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID1096805
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N(CCO)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-17-9-7-16(8-10-17)21-20-22-18(14-27-20)19(25)23(11-12-24)13-15-5-3-2-4-6-15/h2-10,14,24H,11-13H2,1H3,(H,21,22)
InChIKeyRXPQVSCTESQRBK-UHFFFAOYSA-N
XLogP3.53
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide (CID 1096805) is N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)N(CCO)Cc3ccccc3)cs2)cc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is RXPQVSCTESQRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-17-9-7-16(8-10-17)21-20-22-18(14-27-20)19(25)23(11-12-24)13-15-5-3-2-4-6-15/h2-10,14,24H,11-13H2,1H3,(H,21,22).
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1096805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).