N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

C16H14ClN3OS — CID 29133226

IUPACN-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cnc(-n2cccc2)s1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3OS/c17-14-6-2-1-5-12(14)10-18-15(21)9-13-11-19-16(22-13)20-7-3-4-8-20/h1-8,11H,9-10H2,(H,18,21)
InChIKeyJHVBESPUIRCJJJ-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 29133226) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID29133226
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cnc(-n2cccc2)s1)NCc1ccccc1Cl
InChIInChI=1S/C16H14ClN3OS/c17-14-6-2-1-5-12(14)10-18-15(21)9-13-11-19-16(22-13)20-7-3-4-8-20/h1-8,11H,9-10H2,(H,18,21)
InChIKeyJHVBESPUIRCJJJ-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (CID 29133226) is N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is O=C(Cc1cnc(-n2cccc2)s1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is JHVBESPUIRCJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-14-6-2-1-5-12(14)10-18-15(21)9-13-11-19-16(22-13)20-7-3-4-8-20/h1-8,11H,9-10H2,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 331.83 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 29133226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).