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

C15H19ClN4O4S2 — CID 6603000

IUPAC2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N4O4S2.ClH/c16-15-18(7-10-24-15)11-14(20)17-12-1-3-13(4-2-12)25(21,22)19-5-8-23-9-6-19;/h1-4,7,10,16H,5-6,8-9,11H2,(H,17,20);1H/b16-15-;
InChIKeyVDDULJWQNAOHJW-YFKNTREVSA-N
MW418.93 g/mol
LogP1.11
Rot. Bonds5

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

2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (PubChem CID 6603000) has the molecular formula C15H19ClN4O4S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
PubChem CID6603000
Molecular FormulaC15H19ClN4O4S2
Molecular Weight418.93 g/mol
Exact Mass418.05
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N4O4S2.ClH/c16-15-18(7-10-24-15)11-14(20)17-12-1-3-13(4-2-12)25(21,22)19-5-8-23-9-6-19;/h1-4,7,10,16H,5-6,8-9,11H2,(H,17,20);1H/b16-15-;
InChIKeyVDDULJWQNAOHJW-YFKNTREVSA-N
XLogP1.11
TPSA104.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 2128213
N-(4-Cyclohexylsulfamoyl-phenyl)-2-morpholin-4-yl-acetamide
CID 647448
N-(4-{[4-(2-morpholino-2-oxoethyl)piperazino]sulfonyl}phenyl)acetamide
CID 2815598
2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 3184608
2-(2-imino-1,3-thiazol-3-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 11948920
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
CID 16196839
CID 16244818
CID 16244818
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 135471894
2-(2,6-dimethylmorpholin-4-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2946285
N-[4-(4-morpholinylsulfonyl)phenyl]-2-(1-piperidinyl)acetamide
CID 1071222
N-(4-morpholin-4-ylsulfonylphenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4842079

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride (CID 6603000) is 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
The InChIKey is VDDULJWQNAOHJW-YFKNTREVSA-N. The full InChI is InChI=1S/C15H18N4O4S2.ClH/c16-15-18(7-10-24-15)11-14(20)17-12-1-3-13(4-2-12)25(21,22)19-5-8-23-9-6-19;/h1-4,7,10,16H,5-6,8-9,11H2,(H,17,20);1H/b16-15-;.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride?
2-(2-imino-1,3-thiazol-3-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride has a molecular weight of 418.93 g/mol, XLogP of 1.11, 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-(4-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 6603000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).