(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide

C11H17N3O2S2 — CID 96538355

IUPAC(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCc1csc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)n1
InChIInChI=1S/C11H17N3O2S2/c1-8-6-17-9(12-8)13-10(15)14-4-5-18(16)11(2,3)7-14/h6H,4-5,7H2,1-3H3,(H,12,13,15)/t18-/m1/s1
InChIKeyRKXLDJBYAUTWKJ-GOSISDBHSA-N
MW287.41 g/mol
LogP1.83
Rot. Bonds1

About (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide

(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 96538355) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID96538355
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCc1csc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)n1
InChIInChI=1S/C11H17N3O2S2/c1-8-6-17-9(12-8)13-10(15)14-4-5-18(16)11(2,3)7-14/h6H,4-5,7H2,1-3H3,(H,12,13,15)/t18-/m1/s1
InChIKeyRKXLDJBYAUTWKJ-GOSISDBHSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide with MolForge

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Related Compounds

2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide
CID 75427283
2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682851
3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 138997096
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
2-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)morpholine-2,4-dicarboxamide
CID 75484296
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 113249885
2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
CID 50954941
N-(4-methyl-1,3-thiazol-2-yl)-4-(pyridin-2-ylmethylidene)piperidine-1-carboxamide
CID 158437458
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide (CID 96538355) is (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide is Cc1csc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)n1.
What is the InChIKey of (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is RKXLDJBYAUTWKJ-GOSISDBHSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-8-6-17-9(12-8)13-10(15)14-4-5-18(16)11(2,3)7-14/h6H,4-5,7H2,1-3H3,(H,12,13,15)/t18-/m1/s1.
What are the key properties of (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide?
(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 96538355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).