N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C14H16ClN3O2S — CID 43287032

IUPACN-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-8-21-14(20)18(9)6-2-3-13(19)17-12-5-4-10(16)7-11(12)15/h4-5,7-8H,2-3,6,16H2,1H3,(H,17,19)
InChIKeyMRTYECHFYUYUNM-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.87
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 43287032) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID43287032
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C14H16ClN3O2S/c1-9-8-21-14(20)18(9)6-2-3-13(19)17-12-5-4-10(16)7-11(12)15/h4-5,7-8H,2-3,6,16H2,1H3,(H,17,19)
InChIKeyMRTYECHFYUYUNM-UHFFFAOYSA-N
XLogP2.87
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287035
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287042
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(4-amino-2-chlorophenyl)-4-(3-hydroxy-3-methylpyrrolidin-1-yl)butanamide
CID 103355525
N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27162796
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-[(2R)-1-hydroxypropan-2-yl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 79027328
N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-amino-2-chlorophenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035006
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
CID 17474007
N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
CID 43541661

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 43287032) is N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is MRTYECHFYUYUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-9-8-21-14(20)18(9)6-2-3-13(19)17-12-5-4-10(16)7-11(12)15/h4-5,7-8H,2-3,6,16H2,1H3,(H,17,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 325.82 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 43287032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).