2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid

C16H21N3O2S — CID 86620276

IUPAC2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCc1ccc(-c2csc(N)n2)cc1)C(=O)O
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)19(15(20)21)9-8-11-4-6-12(7-5-11)13-10-22-14(17)18-13/h4-7,10H,8-9H2,1-3H3,(H2,17,18)(H,20,21)
InChIKeySVQJSYZIWJURFW-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.71
Rot. Bonds4

About 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid

2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid (PubChem CID 86620276) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid
PubChem CID86620276
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCc1ccc(-c2csc(N)n2)cc1)C(=O)O
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)19(15(20)21)9-8-11-4-6-12(7-5-11)13-10-22-14(17)18-13/h4-7,10H,8-9H2,1-3H3,(H2,17,18)(H,20,21)
InChIKeySVQJSYZIWJURFW-UHFFFAOYSA-N
XLogP3.71
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
CID 146598746
2-[3-(6-amino-2-pyridinyl)phenyl]ethyl-tert-butylcarbamic acid
CID 66836780
2-(4-amino-3-nitrophenyl)ethyl-tert-butylcarbamic acid
CID 162367907
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
CID 87581411
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
CID 28865127
tert-butyl N-[3-[4-(2-amino-1,3-thiazol-4-yl)anilino]-3-oxopropyl]-N-benzylcarbamate
CID 5272472
3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid
CID 62788263
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid
CID 87836323
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid (CID 86620276) is 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCc1ccc(-c2csc(N)n2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid?
The InChIKey is SVQJSYZIWJURFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)19(15(20)21)9-8-11-4-6-12(7-5-11)13-10-22-14(17)18-13/h4-7,10H,8-9H2,1-3H3,(H2,17,18)(H,20,21).
What are the key properties of 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid?
2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid has a molecular weight of 319.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 86620276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).