N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

C18H17ClN2O4S — CID 86863749

IUPACN-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCOCCOc1c(Cl)cccc1NC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H17ClN2O4S/c1-2-23-9-10-25-16-12(19)5-3-6-13(16)20-17(22)14-11-26-18(21-14)15-7-4-8-24-15/h3-8,11H,2,9-10H2,1H3,(H,20,22)
InChIKeyXCPCIXSGNYUUIW-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.72
Rot. Bonds8

About N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide

N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 86863749) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID86863749
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCOCCOc1c(Cl)cccc1NC(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H17ClN2O4S/c1-2-23-9-10-25-16-12(19)5-3-6-13(16)20-17(22)14-11-26-18(21-14)15-7-4-8-24-15/h3-8,11H,2,9-10H2,1H3,(H,20,22)
InChIKeyXCPCIXSGNYUUIW-UHFFFAOYSA-N
XLogP4.72
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36767453
propyl 4-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 36744455
2-(furan-2-yl)-N-(5-propyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 115619787
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
N-(5-bromo-2-methylphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52655029
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
N-(2-cyclopentyloxyphenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 52656400
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 15623144

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide (CID 86863749) is N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is CCOCCOc1c(Cl)cccc1NC(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XCPCIXSGNYUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-2-23-9-10-25-16-12(19)5-3-6-13(16)20-17(22)14-11-26-18(21-14)15-7-4-8-24-15/h3-8,11H,2,9-10H2,1H3,(H,20,22).
What are the key properties of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide?
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86863749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).