N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

C16H13Cl2N3OS — CID 39312830

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cnc(-n2cccc2)s1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3OS/c17-12-4-3-11(14(18)7-12)9-19-15(22)8-13-10-20-16(23-13)21-5-1-2-6-21/h1-7,10H,8-9H2,(H,19,22)
InChIKeyJMGSUFYHSUTNRM-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.10
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 39312830) has the molecular formula C16H13Cl2N3OS and a molecular weight of 366.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID39312830
Molecular FormulaC16H13Cl2N3OS
Molecular Weight366.27 g/mol
Exact Mass365.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1cnc(-n2cccc2)s1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3OS/c17-12-4-3-11(14(18)7-12)9-19-15(22)8-13-10-20-16(23-13)21-5-1-2-6-21/h1-7,10H,8-9H2,(H,19,22)
InChIKeyJMGSUFYHSUTNRM-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
CID 29133226
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-[(2,4-dichlorophenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 3343317
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 8535330
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
N-[(2,4-dichlorophenyl)methyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7927947
1-[(2,4-dichlorophenyl)methyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 52711976

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (CID 39312830) is N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is O=C(Cc1cnc(-n2cccc2)s1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is JMGSUFYHSUTNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3OS/c17-12-4-3-11(14(18)7-12)9-19-15(22)8-13-10-20-16(23-13)21-5-1-2-6-21/h1-7,10H,8-9H2,(H,19,22).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 366.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 39312830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).