2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride

C16H21ClN4O4S2 — CID 11948920

IUPAC2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C16H20N4O4S2.ClH/c1-12-2-3-13(26(22,23)20-4-7-24-8-5-20)10-14(12)18-15(21)11-19-6-9-25-16(19)17;/h2-3,6,9-10,17H,4-5,7-8,11H2,1H3,(H,18,21);1H/b17-16-;
InChIKeyJTBVOUAUCQBCID-XYJRJTJESA-N
MW432.96 g/mol
LogP1.42
Rot. Bonds5

About 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride

2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 11948920) has the molecular formula C16H21ClN4O4S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID11948920
Molecular FormulaC16H21ClN4O4S2
Molecular Weight432.96 g/mol
Exact Mass432.07
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C
InChIInChI=1S/C16H20N4O4S2.ClH/c1-12-2-3-13(26(22,23)20-4-7-24-8-5-20)10-14(12)18-15(21)11-19-6-9-25-16(19)17;/h2-3,6,9-10,17H,4-5,7-8,11H2,1H3,(H,18,21);1H/b17-16-;
InChIKeyJTBVOUAUCQBCID-XYJRJTJESA-N
XLogP1.42
TPSA104.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (CID 11948920) is 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is JTBVOUAUCQBCID-XYJRJTJESA-N. The full InChI is InChI=1S/C16H20N4O4S2.ClH/c1-12-2-3-13(26(22,23)20-4-7-24-8-5-20)10-14(12)18-15(21)11-19-6-9-25-16(19)17;/h2-3,6,9-10,17H,4-5,7-8,11H2,1H3,(H,18,21);1H/b17-16-;.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 432.96 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 11948920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).