N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide

C14H17N3OS — CID 82342481

IUPACN-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(C)c(N)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-9-3-5-11(6-4-9)7-8-12(18)17-14-16-10(2)13(15)19-14/h3-6H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyCTEMTVOVODVRFN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.91
Rot. Bonds4

About N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide

N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide (PubChem CID 82342481) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
PubChem CID82342481
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2nc(C)c(N)s2)cc1
InChIInChI=1S/C14H17N3OS/c1-9-3-5-11(6-4-9)7-8-12(18)17-14-16-10(2)13(15)19-14/h3-6H,7-8,15H2,1-2H3,(H,16,17,18)
InChIKeyCTEMTVOVODVRFN-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-methyl-1,3-thiazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 82342449
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
ethyl 2-[3-(4-methylphenyl)propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84559958
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 39024795
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
methyl 2-[3-(4-methylphenyl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 18121924
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229294
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide (CID 82342481) is N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2nc(C)c(N)s2)cc1.
What is the InChIKey of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is CTEMTVOVODVRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-3-5-11(6-4-9)7-8-12(18)17-14-16-10(2)13(15)19-14/h3-6H,7-8,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide?
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.91, 4 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)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 82342481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).