(1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide

C14H21N3O2S2 — CID 97227887

IUPAC(1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide
SMILESCC1(C)CN(C(=O)Nc2nc3c(s2)CCCC3)CC[S@]1=O
InChIInChI=1S/C14H21N3O2S2/c1-14(2)9-17(7-8-21(14)19)13(18)16-12-15-10-5-3-4-6-11(10)20-12/h3-9H2,1-2H3,(H,15,16,18)/t21-/m1/s1
InChIKeyQITOJDKMFYCZJV-OAQYLSRUSA-N
MW327.48 g/mol
LogP2.40
Rot. Bonds1

About (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide

(1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide (PubChem CID 97227887) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide
PubChem CID97227887
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name(1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide
SMILESCC1(C)CN(C(=O)Nc2nc3c(s2)CCCC3)CC[S@]1=O
InChIInChI=1S/C14H21N3O2S2/c1-14(2)9-17(7-8-21(14)19)13(18)16-12-15-10-5-3-4-6-11(10)20-12/h3-9H2,1-2H3,(H,15,16,18)/t21-/m1/s1
InChIKeyQITOJDKMFYCZJV-OAQYLSRUSA-N
XLogP2.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide
CID 96538355
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 99841536
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
CID 126900146

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide (CID 97227887) is (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide is CC1(C)CN(C(=O)Nc2nc3c(s2)CCCC3)CC[S@]1=O.
What is the InChIKey of (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide?
The InChIKey is QITOJDKMFYCZJV-OAQYLSRUSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-14(2)9-17(7-8-21(14)19)13(18)16-12-15-10-5-3-4-6-11(10)20-12/h3-9H2,1-2H3,(H,15,16,18)/t21-/m1/s1.
What are the key properties of (1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide?
(1R)-2,2-dimethyl-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide has a molecular weight of 327.48 g/mol, XLogP of 2.40, 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-1-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 97227887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).