N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide

C15H19N3OS — CID 82342293

IUPACN-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)c(N)s1
InChIInChI=1S/C15H19N3OS/c1-4-12(19)17-15-18-13(14(16)20-15)11-7-5-10(6-8-11)9(2)3/h5-9H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyPOWRPEMBKDFZET-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.86
Rot. Bonds4

About N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide

N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 82342293) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID82342293
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)c(N)s1
InChIInChI=1S/C15H19N3OS/c1-4-12(19)17-15-18-13(14(16)20-15)11-7-5-10(6-8-11)9(2)3/h5-9H,4,16H2,1-3H3,(H,17,18,19)
InChIKeyPOWRPEMBKDFZET-UHFFFAOYSA-N
XLogP3.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide
CID 82342362
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
ethyl N-(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 58911903
2-[2-(2-methylpropanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200051
N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 82342260
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126211187
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-4-(4-propan-2-ylphenoxy)butanamide
CID 19229213

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide (CID 82342293) is N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)c(N)s1.
What is the InChIKey of N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is POWRPEMBKDFZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-12(19)17-15-18-13(14(16)20-15)11-7-5-10(6-8-11)9(2)3/h5-9H,4,16H2,1-3H3,(H,17,18,19).
What are the key properties of N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide?
N-[5-amino-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 289.40 g/mol, XLogP of 3.86, 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-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 82342293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).