2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

C12H12ClN3O2S — CID 2899842

IUPAC2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CC(=O)N=C(N)S1
InChIInChI=1S/C12H12ClN3O2S/c1-6-2-3-7(13)4-8(6)15-11(18)9-5-10(17)16-12(14)19-9/h2-4,9H,5H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyMUXMBNDEPOJGFO-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide

2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (PubChem CID 2899842) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
PubChem CID2899842
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CC(=O)N=C(N)S1
InChIInChI=1S/C12H12ClN3O2S/c1-6-2-3-7(13)4-8(6)15-11(18)9-5-10(17)16-12(14)19-9/h2-4,9H,5H2,1H3,(H,15,18)(H2,14,16,17)
InChIKeyMUXMBNDEPOJGFO-UHFFFAOYSA-N
XLogP1.93
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
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CID 135938199
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
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CID 7447038
methyl (4S)-4-[(5-chloro-2-methylphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41090528
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
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(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
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N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The IUPAC name of 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide (CID 2899842) is 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CC(=O)N=C(N)S1.
What is the InChIKey of 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
The InChIKey is MUXMBNDEPOJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-6-2-3-7(13)4-8(6)15-11(18)9-5-10(17)16-12(14)19-9/h2-4,9H,5H2,1H3,(H,15,18)(H2,14,16,17).
What are the key properties of 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide?
2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide has a molecular weight of 297.77 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-methylphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 2899842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).