N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide

C15H19N3OS — CID 110717824

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCc2csc(N)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)11-3-5-12(6-4-11)14(19)17-8-7-13-9-20-15(16)18-13/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyYNWAGYOJZGVOMF-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide (PubChem CID 110717824) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
PubChem CID110717824
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCc2csc(N)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-10(2)11-3-5-12(6-4-11)14(19)17-8-7-13-9-20-15(16)18-13/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyYNWAGYOJZGVOMF-UHFFFAOYSA-N
XLogP2.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(3-fluorophenyl)benzamide
CID 131899873
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 72897828
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide
CID 154905019
2-amino-N-[2-[(4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62788957
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide (CID 110717824) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCCc2csc(N)n2)cc1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide?
The InChIKey is YNWAGYOJZGVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)11-3-5-12(6-4-11)14(19)17-8-7-13-9-20-15(16)18-13/h3-6,9-10H,7-8H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide has a molecular weight of 289.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 110717824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).