N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C16H23Cl2N3OS — CID 119996957

IUPACN-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCc1ccc(-c2nc(CC(=O)NCC(C)CN)cs2)cc1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-11-3-5-13(6-4-11)16-19-14(10-21-16)7-15(20)18-9-12(2)8-17;;/h3-6,10,12H,7-9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQUGVCUCPQYHZHU-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.22
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119996957) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119996957
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC NameN-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCc1ccc(-c2nc(CC(=O)NCC(C)CN)cs2)cc1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-11-3-5-13(6-4-11)16-19-14(10-21-16)7-15(20)18-9-12(2)8-17;;/h3-6,10,12H,7-9,17H2,1-2H3,(H,18,20);2*1H
InChIKeyQUGVCUCPQYHZHU-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
N-(3-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119996517
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 82547973
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 32978171
N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-(3-hydroxy-4-methylpentyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 111461200
N-(1-amino-2-methylpropan-2-yl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119521950
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17398651
N-hexyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 32646390
N-(3-amino-2-methylpropyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119998203
(2S)-2-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 39965429
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119996957) is N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is Cc1ccc(-c2nc(CC(=O)NCC(C)CN)cs2)cc1.Cl.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is QUGVCUCPQYHZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-11-3-5-13(6-4-11)16-19-14(10-21-16)7-15(20)18-9-12(2)8-17;;/h3-6,10,12H,7-9,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119996957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).