2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide

C14H23N3O2S2 — CID 75427283

IUPAC2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCC(C)Cc1cnc(NC(=O)N2CCS(=O)C(C)(C)C2)s1
InChIInChI=1S/C14H23N3O2S2/c1-10(2)7-11-8-15-12(20-11)16-13(18)17-5-6-21(19)14(3,4)9-17/h8,10H,5-7,9H2,1-4H3,(H,15,16,18)
InChIKeyWNLSVZDTODVZGG-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.72
Rot. Bonds3

About 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide

2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 75427283) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID75427283
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC Name2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCC(C)Cc1cnc(NC(=O)N2CCS(=O)C(C)(C)C2)s1
InChIInChI=1S/C14H23N3O2S2/c1-10(2)7-11-8-15-12(20-11)16-13(18)17-5-6-21(19)14(3,4)9-17/h8,10H,5-7,9H2,1-4H3,(H,15,16,18)
InChIKeyWNLSVZDTODVZGG-UHFFFAOYSA-N
XLogP2.72
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide (CID 75427283) is 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide is CC(C)Cc1cnc(NC(=O)N2CCS(=O)C(C)(C)C2)s1.
What is the InChIKey of 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is WNLSVZDTODVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-10(2)7-11-8-15-12(20-11)16-13(18)17-5-6-21(19)14(3,4)9-17/h8,10H,5-7,9H2,1-4H3,(H,15,16,18).
What are the key properties of 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide?
2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 75427283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).