N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide

C12H13N3OS2 — CID 43702559

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CSCN3)cc2s1
InChIInChI=1S/C12H13N3OS2/c1-7-14-9-3-2-8(4-11(9)18-7)15-12(16)10-5-17-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,15,16)
InChIKeyMJCKKWJUMLMHLJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.21
Rot. Bonds2

About N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide

N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 43702559) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID43702559
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CSCN3)cc2s1
InChIInChI=1S/C12H13N3OS2/c1-7-14-9-3-2-8(4-11(9)18-7)15-12(16)10-5-17-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,15,16)
InChIKeyMJCKKWJUMLMHLJ-UHFFFAOYSA-N
XLogP2.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
N-quinoxalin-6-yl-1,3-thiazolidine-4-carboxamide
CID 54862020
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide
CID 75118963
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
CID 167830807
N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
CID 24692510

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide (CID 43702559) is N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide is Cc1nc2ccc(NC(=O)C3CSCN3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MJCKKWJUMLMHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-7-14-9-3-2-8(4-11(9)18-7)15-12(16)10-5-17-6-13-10/h2-4,10,13H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43702559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).