2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide

C16H21N3OS — CID 110450278

IUPAC2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cc1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)19-14(20)8-13-10-21-15(18-13)12-6-4-5-11(7-12)9-17/h4-7,10H,8-9,17H2,1-3H3,(H,19,20)
InChIKeyVWIABFGSMWCJMF-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.73
Rot. Bonds4

About 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide

2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide (PubChem CID 110450278) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
PubChem CID110450278
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cc1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C16H21N3OS/c1-16(2,3)19-14(20)8-13-10-21-15(18-13)12-6-4-5-11(7-12)9-17/h4-7,10H,8-9,17H2,1-3H3,(H,19,20)
InChIKeyVWIABFGSMWCJMF-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 110450412
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119600151
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119571480
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
N-(2-amino-2-methylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119629857
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870397

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide (CID 110450278) is 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)Cc1csc(-c2cccc(CN)c2)n1.
What is the InChIKey of 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide?
The InChIKey is VWIABFGSMWCJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-16(2,3)19-14(20)8-13-10-21-15(18-13)12-6-4-5-11(7-12)9-17/h4-7,10H,8-9,17H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide?
2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide has a molecular weight of 303.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide is sourced from PubChem (CID 110450278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).