N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

C15H21Cl2N3OS — CID 119422829

IUPACN-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)Nc2ccccc2N)cs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-15(2,3)14-17-10(9-20-14)8-13(19)18-12-7-5-4-6-11(12)16;;/h4-7,9H,8,16H2,1-3H3,(H,18,19);2*1H
InChIKeyPBVIFTLBMLYMKR-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.05
Rot. Bonds3

About N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride

N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (PubChem CID 119422829) has the molecular formula C15H21Cl2N3OS and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
PubChem CID119422829
Molecular FormulaC15H21Cl2N3OS
Molecular Weight362.33 g/mol
Exact Mass361.08
IUPAC NameN-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)Nc2ccccc2N)cs1.Cl.Cl
InChIInChI=1S/C15H19N3OS.2ClH/c1-15(2,3)14-17-10(9-20-14)8-13(19)18-12-7-5-4-6-11(12)16;;/h4-7,9H,8,16H2,1-3H3,(H,18,19);2*1H
InChIKeyPBVIFTLBMLYMKR-UHFFFAOYSA-N
XLogP4.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride (CID 119422829) is N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is CC(C)(C)c1nc(CC(=O)Nc2ccccc2N)cs1.Cl.Cl.
What is the InChIKey of N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
The InChIKey is PBVIFTLBMLYMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.2ClH/c1-15(2,3)14-17-10(9-20-14)8-13(19)18-12-7-5-4-6-11(12)16;;/h4-7,9H,8,16H2,1-3H3,(H,18,19);2*1H.
What are the key properties of N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride?
N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride has a molecular weight of 362.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119422829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).