4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

C10H10ClN3O3S — CID 71417922

IUPAC4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(Cl)c(NCCO)o1
InChIInChI=1S/C10H10ClN3O3S/c11-6-5-7(17-9(6)12-1-3-15)8(16)14-10-13-2-4-18-10/h2,4-5,12,15H,1,3H2,(H,13,14,16)
InChIKeyWPTDKMRXIZNXFX-UHFFFAOYSA-N
MW287.73 g/mol
LogP2.05
Rot. Bonds5

About 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 71417922) has the molecular formula C10H10ClN3O3S and a molecular weight of 287.73 g/mol. Its IUPAC name is 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID71417922
Molecular FormulaC10H10ClN3O3S
Molecular Weight287.73 g/mol
Exact Mass287.01
IUPAC Name4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc(Cl)c(NCCO)o1
InChIInChI=1S/C10H10ClN3O3S/c11-6-5-7(17-9(6)12-1-3-15)8(16)14-10-13-2-4-18-10/h2,4-5,12,15H,1,3H2,(H,13,14,16)
InChIKeyWPTDKMRXIZNXFX-UHFFFAOYSA-N
XLogP2.05
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749
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CID 3354816
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23822862
6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 87314477
3-chloro-6-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62172860
1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 8698366
4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 11347887
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
5-chloro-2-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114921694
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046988
N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 130841000
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 71417922) is 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nccs1)c1cc(Cl)c(NCCO)o1.
What is the InChIKey of 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is WPTDKMRXIZNXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S/c11-6-5-7(17-9(6)12-1-3-15)8(16)14-10-13-2-4-18-10/h2,4-5,12,15H,1,3H2,(H,13,14,16).
What are the key properties of 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 287.73 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 71417922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).