2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride

C21H24ClN3OS — CID 11834405

IUPAC2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C21H23N3OS.ClH/c22-21-24(15-16-26-21)17-20(25)23(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;/h1-10,15-16,22H,11-14,17H2;1H/b22-21-;
InChIKeyWCGYVUMBNSPMPG-SVXKRPBISA-N
MW401.96 g/mol
LogP3.76
Rot. Bonds8

About 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride

2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride (PubChem CID 11834405) has the molecular formula C21H24ClN3OS and a molecular weight of 401.96 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride
PubChem CID11834405
Molecular FormulaC21H24ClN3OS
Molecular Weight401.96 g/mol
Exact Mass401.13
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)N(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C21H23N3OS.ClH/c22-21-24(15-16-26-21)17-20(25)23(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;/h1-10,15-16,22H,11-14,17H2;1H/b22-21-;
InChIKeyWCGYVUMBNSPMPG-SVXKRPBISA-N
XLogP3.76
TPSA49.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.96
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
N-(2-aminoethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884629
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide
CID 111122119
hydroxy(2-phenylethyl)carbamic acid
CID 87254387
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N,N-bis(2-phenylethyl)acetamide
CID 2536296
N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
2-[2-phenylethyl-(2-pyrazol-1-ylacetyl)amino]acetic acid
CID 119347306
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
N-(2-aminoethyl)-3,3,3-trifluoro-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886805
2-(4-iminoquinolin-1-yl)-N,N-dipropylacetamide;hydrochloride
CID 6602912

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride (CID 11834405) is 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)N(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is WCGYVUMBNSPMPG-SVXKRPBISA-N. The full InChI is InChI=1S/C21H23N3OS.ClH/c22-21-24(15-16-26-21)17-20(25)23(13-11-18-7-3-1-4-8-18)14-12-19-9-5-2-6-10-19;/h1-10,15-16,22H,11-14,17H2;1H/b22-21-;.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride?
2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 401.96 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazol-3-yl)-N,N-bis(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 11834405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).