N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

C13H14ClN3OS — CID 61283813

IUPACN-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2ccccc2Cl)cs1
InChIInChI=1S/C13H14ClN3OS/c1-9-16-10(8-19-9)6-15-7-13(18)17-12-5-3-2-4-11(12)14/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyDNOXUZFHMRBZNP-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.83
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide

N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (PubChem CID 61283813) has the molecular formula C13H14ClN3OS and a molecular weight of 295.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
PubChem CID61283813
Molecular FormulaC13H14ClN3OS
Molecular Weight295.79 g/mol
Exact Mass295.05
IUPAC NameN-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2ccccc2Cl)cs1
InChIInChI=1S/C13H14ClN3OS/c1-9-16-10(8-19-9)6-15-7-13(18)17-12-5-3-2-4-11(12)14/h2-5,8,15H,6-7H2,1H3,(H,17,18)
InChIKeyDNOXUZFHMRBZNP-UHFFFAOYSA-N
XLogP2.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47278023
N-(3-methylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61284009
N-(2-chlorophenyl)-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895695
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283431
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 60960976
N-(3-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283814
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 87007040
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
N-(2-chlorophenyl)-2-[(3-fluorophenyl)methylamino]acetamide
CID 28970696

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide (CID 61283813) is N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is Cc1nc(CNCC(=O)Nc2ccccc2Cl)cs1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
The InChIKey is DNOXUZFHMRBZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-9-16-10(8-19-9)6-15-7-13(18)17-12-5-3-2-4-11(12)14/h2-5,8,15H,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide?
N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide has a molecular weight of 295.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 61283813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).