ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C14H13Cl2N3O3S — CID 604146

IUPACethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1C
InChIInChI=1S/C14H13Cl2N3O3S/c1-3-22-12(20)11-7(2)17-14(23-11)19-13(21)18-8-4-5-9(15)10(16)6-8/h4-6H,3H2,1-2H3,(H2,17,18,19,21)
InChIKeyUKSZDCABVRPLNQ-UHFFFAOYSA-N
MW374.25 g/mol
LogP4.58
Rot. Bonds4

About ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 604146) has the molecular formula C14H13Cl2N3O3S and a molecular weight of 374.25 g/mol. Its IUPAC name is ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID604146
Molecular FormulaC14H13Cl2N3O3S
Molecular Weight374.25 g/mol
Exact Mass373.01
IUPAC Nameethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1C
InChIInChI=1S/C14H13Cl2N3O3S/c1-3-22-12(20)11-7(2)17-14(23-11)19-13(21)18-8-4-5-9(15)10(16)6-8/h4-6H,3H2,1-2H3,(H2,17,18,19,21)
InChIKeyUKSZDCABVRPLNQ-UHFFFAOYSA-N
XLogP4.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 604146) is ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1C.
What is the InChIKey of ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is UKSZDCABVRPLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3S/c1-3-22-12(20)11-7(2)17-14(23-11)19-13(21)18-8-4-5-9(15)10(16)6-8/h4-6H,3H2,1-2H3,(H2,17,18,19,21).
What are the key properties of ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 374.25 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4-dichlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 604146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).