N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide

C12H12ClN3OS — CID 82342449

IUPACN-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1N
InChIInChI=1S/C12H12ClN3OS/c1-7-11(14)18-12(15-7)16-10(17)6-8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3,(H,15,16,17)
InChIKeyUGIOMVTYVYCABG-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.87
Rot. Bonds3

About N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide

N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide (PubChem CID 82342449) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide
PubChem CID82342449
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC NameN-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide
SMILESCc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1N
InChIInChI=1S/C12H12ClN3OS/c1-7-11(14)18-12(15-7)16-10(17)6-8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3,(H,15,16,17)
InChIKeyUGIOMVTYVYCABG-UHFFFAOYSA-N
XLogP2.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 82342481
N-(5-amino-6-methyl-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 82330943
2-(4-chlorophenyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100533988
ethyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84558528
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
ethyl 2-[2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3826746
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 28803701
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
N-(5-amino-4-tert-butyl-1,3-thiazol-2-yl)-2-phenylacetamide
CID 82342385
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide (CID 82342449) is N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide is Cc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1N.
What is the InChIKey of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide?
The InChIKey is UGIOMVTYVYCABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-7-11(14)18-12(15-7)16-10(17)6-8-2-4-9(13)5-3-8/h2-5H,6,14H2,1H3,(H,15,16,17).
What are the key properties of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide?
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide has a molecular weight of 281.77 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 82342449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).