2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide

C15H19N3O2S — CID 39177422

IUPAC2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)COc1ccc(-c2csc(NC(=O)CN)n2)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(2)8-20-12-5-3-11(4-6-12)13-9-21-15(17-13)18-14(19)7-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyXDXKAWJULWPJHG-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.74
Rot. Bonds6

About 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 39177422) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID39177422
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)COc1ccc(-c2csc(NC(=O)CN)n2)cc1
InChIInChI=1S/C15H19N3O2S/c1-10(2)8-20-12-5-3-11(4-6-12)13-9-21-15(17-13)18-14(19)7-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18,19)
InChIKeyXDXKAWJULWPJHG-UHFFFAOYSA-N
XLogP2.74
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 3986058
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[[5-[4-(2-methylpropoxy)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17264131
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 28861417
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848069
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide (CID 39177422) is 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide is CC(C)COc1ccc(-c2csc(NC(=O)CN)n2)cc1.
What is the InChIKey of 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XDXKAWJULWPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)8-20-12-5-3-11(4-6-12)13-9-21-15(17-13)18-14(19)7-16/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 305.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39177422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).