3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide

C14H14Cl2N4O3S — CID 54146486

IUPAC3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCN(C)C(=O)Nc1snc(OCc2cccc(Cl)c2Cl)c1C(N)=O
InChIInChI=1S/C14H14Cl2N4O3S/c1-20(2)14(22)18-13-9(11(17)21)12(19-24-13)23-6-7-4-3-5-8(15)10(7)16/h3-5H,6H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeyOESWLYQGVISEKK-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.22
Rot. Bonds5

About 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide

3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 54146486) has the molecular formula C14H14Cl2N4O3S and a molecular weight of 389.26 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
PubChem CID54146486
Molecular FormulaC14H14Cl2N4O3S
Molecular Weight389.26 g/mol
Exact Mass388.02
IUPAC Name3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCN(C)C(=O)Nc1snc(OCc2cccc(Cl)c2Cl)c1C(N)=O
InChIInChI=1S/C14H14Cl2N4O3S/c1-20(2)14(22)18-13-9(11(17)21)12(19-24-13)23-6-7-4-3-5-8(15)10(7)16/h3-5H,6H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeyOESWLYQGVISEKK-UHFFFAOYSA-N
XLogP3.22
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide (CID 54146486) is 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide is CN(C)C(=O)Nc1snc(OCc2cccc(Cl)c2Cl)c1C(N)=O.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is OESWLYQGVISEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3S/c1-20(2)14(22)18-13-9(11(17)21)12(19-24-13)23-6-7-4-3-5-8(15)10(7)16/h3-5H,6H2,1-2H3,(H2,17,21)(H,18,22).
What are the key properties of 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide?
3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 389.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methoxy]-5-(dimethylcarbamoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54146486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).