2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide

C16H14ClN3O2S — CID 27377961

IUPAC2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1ccco1
InChIInChI=1S/C16H14ClN3O2S/c17-11-3-1-4-12(7-11)19-16-20-13(10-23-16)8-15(21)18-9-14-5-2-6-22-14/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyLSGHXPKFYFWGLP-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.99
Rot. Bonds6

About 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 27377961) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID27377961
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1ccco1
InChIInChI=1S/C16H14ClN3O2S/c17-11-3-1-4-12(7-11)19-16-20-13(10-23-16)8-15(21)18-9-14-5-2-6-22-14/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyLSGHXPKFYFWGLP-UHFFFAOYSA-N
XLogP3.99
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide (CID 27377961) is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NCc1ccco1.
What is the InChIKey of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LSGHXPKFYFWGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-11-3-1-4-12(7-11)19-16-20-13(10-23-16)8-15(21)18-9-14-5-2-6-22-14/h1-7,10H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 347.83 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 27377961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).