N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C18H22Cl2N2O3S — CID 56505330

IUPACN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N2O3S/c1-10(2)7-15-22-11(3)17(26-15)18(24)21-8-12(23)9-25-14-6-4-5-13(19)16(14)20/h4-6,10,12,23H,7-9H2,1-3H3,(H,21,24)
InChIKeyGBUJMEDIILIWAM-UHFFFAOYSA-N
MW417.36 g/mol
LogP4.13
Rot. Bonds8

About N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 56505330) has the molecular formula C18H22Cl2N2O3S and a molecular weight of 417.36 g/mol. Its IUPAC name is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID56505330
Molecular FormulaC18H22Cl2N2O3S
Molecular Weight417.36 g/mol
Exact Mass416.07
IUPAC NameN-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)NCC(O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N2O3S/c1-10(2)7-15-22-11(3)17(26-15)18(24)21-8-12(23)9-25-14-6-4-5-13(19)16(14)20/h4-6,10,12,23H,7-9H2,1-3H3,(H,21,24)
InChIKeyGBUJMEDIILIWAM-UHFFFAOYSA-N
XLogP4.13
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 56505330) is N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)sc1C(=O)NCC(O)COc1cccc(Cl)c1Cl.
What is the InChIKey of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GBUJMEDIILIWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O3S/c1-10(2)7-15-22-11(3)17(26-15)18(24)21-8-12(23)9-25-14-6-4-5-13(19)16(14)20/h4-6,10,12,23H,7-9H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 417.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56505330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).