4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid

About 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid

4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid (PubChem CID 87546545) has the molecular formula C20H20ClN5O6S4 and a molecular weight of 590.13 g/mol. Its IUPAC name is 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid.

Molecular Properties

Compound Name	4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid
PubChem CID	87546545
Molecular Formula	C20H20ClN5O6S4
Molecular Weight	590.13 g/mol
Exact Mass	589.00
IUPAC Name	4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid
SMILES	CS(=O)(=O)O.[H]/N=C1\OCCN1c1ccc(NC(=O)c2sc(SC)nc2NC(=O)c2ccc(Cl)s2)cc1
InChI	InChI=1S/C19H16ClN5O3S3.CH4O3S/c1-29-19-24-15(23-16(26)12-6-7-13(20)30-12)14(31-19)17(27)22-10-2-4-11(5-3-10)25-8-9-28-18(25)21;1-5(2,3)4/h2-7,21H,8-9H2,1H3,(H,22,27)(H,23,26);1H3,(H,2,3,4)/b21-18-;
InChIKey	LZCPOKHKSVCWRH-WIPIHYDQSA-N
XLogP	4.36
TPSA	161.78 Å²
H-Bond Donors	4
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.13
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid?

The IUPAC name of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid (CID 87546545) is 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid.

What is the SMILES notation for 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid?

The canonical SMILES for 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid is CS(=O)(=O)O.[H]/N=C1\OCCN1c1ccc(NC(=O)c2sc(SC)nc2NC(=O)c2ccc(Cl)s2)cc1.

What is the InChIKey of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid?

The InChIKey is LZCPOKHKSVCWRH-WIPIHYDQSA-N. The full InChI is InChI=1S/C19H16ClN5O3S3.CH4O3S/c1-29-19-24-15(23-16(26)12-6-7-13(20)30-12)14(31-19)17(27)22-10-2-4-11(5-3-10)25-8-9-28-18(25)21;1-5(2,3)4/h2-7,21H,8-9H2,1H3,(H,22,27)(H,23,26);1H3,(H,2,3,4)/b21-18-;.

What are the key properties of 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid?

4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid has a molecular weight of 590.13 g/mol, XLogP of 4.36, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-imino-1,3-oxazolidin-3-yl)phenyl]-2-methylsulfanyl-1,3-thiazole-5-carboxamide;methanesulfonic acid is sourced from PubChem (CID 87546545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).