N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide

C16H15ClN4O3S2 — CID 143574421

IUPACN-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide
SMILESCC1=C(c2ccc(Cl)c(S(C)(=O)=O)c2)SCC(NC(=O)n2ccnc2)=N1
InChIInChI=1S/C16H15ClN4O3S2/c1-10-15(11-3-4-12(17)13(7-11)26(2,23)24)25-8-14(19-10)20-16(22)21-6-5-18-9-21/h3-7,9H,8H2,1-2H3,(H,19,20,22)
InChIKeyMBPQBVROHXPYMB-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.03
Rot. Bonds2

About N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide

N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide (PubChem CID 143574421) has the molecular formula C16H15ClN4O3S2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide
PubChem CID143574421
Molecular FormulaC16H15ClN4O3S2
Molecular Weight410.91 g/mol
Exact Mass410.03
IUPAC NameN-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide
SMILESCC1=C(c2ccc(Cl)c(S(C)(=O)=O)c2)SCC(NC(=O)n2ccnc2)=N1
InChIInChI=1S/C16H15ClN4O3S2/c1-10-15(11-3-4-12(17)13(7-11)26(2,23)24)25-8-14(19-10)20-16(22)21-6-5-18-9-21/h3-7,9H,8H2,1-2H3,(H,19,20,22)
InChIKeyMBPQBVROHXPYMB-UHFFFAOYSA-N
XLogP3.03
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 148829715
2-[(4-chlorophenyl)methylsulfonyl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 17225113

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide?
The IUPAC name of N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide (CID 143574421) is N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide is CC1=C(c2ccc(Cl)c(S(C)(=O)=O)c2)SCC(NC(=O)n2ccnc2)=N1.
What is the InChIKey of N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide?
The InChIKey is MBPQBVROHXPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S2/c1-10-15(11-3-4-12(17)13(7-11)26(2,23)24)25-8-14(19-10)20-16(22)21-6-5-18-9-21/h3-7,9H,8H2,1-2H3,(H,19,20,22).
What are the key properties of N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide?
N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloro-3-methylsulfonylphenyl)-5-methyl-2H-1,4-thiazin-3-yl]imidazole-1-carboxamide is sourced from PubChem (CID 143574421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).