2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride

C20H22ClN3O2S — CID 120783341

IUPAC2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCOCC1
InChIInChI=1S/C20H21N3O2S.ClH/c21-18(14-7-9-25-10-8-14)19(24)23-20-22-17(12-26-20)16-6-5-13-3-1-2-4-15(13)11-16;/h1-6,11-12,14,18H,7-10,21H2,(H,22,23,24);1H
InChIKeyTVAVIEFQEZRTGS-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.08
Rot. Bonds4

About 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120783341) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120783341
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCOCC1
InChIInChI=1S/C20H21N3O2S.ClH/c21-18(14-7-9-25-10-8-14)19(24)23-20-22-17(12-26-20)16-6-5-13-3-1-2-4-15(13)11-16;/h1-6,11-12,14,18H,7-10,21H2,(H,22,23,24);1H
InChIKeyTVAVIEFQEZRTGS-UHFFFAOYSA-N
XLogP4.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787149
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-2-(oxan-4-yl)acetamide
CID 120783216
2-ethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)butanamide
CID 110441776
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
2-chloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3513866
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
(2S)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 40538671
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
2-chloroethyl N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamate
CID 108733446
2-naphthalen-2-yloxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)acetamide
CID 3973055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120783341) is 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCOCC1.
What is the InChIKey of 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is TVAVIEFQEZRTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.ClH/c21-18(14-7-9-25-10-8-14)19(24)23-20-22-17(12-26-20)16-6-5-13-3-1-2-4-15(13)11-16;/h1-6,11-12,14,18H,7-10,21H2,(H,22,23,24);1H.
What are the key properties of 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120783341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).