N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide

C16H15N3O2S2 — CID 124514121

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cnc([C@H]4CCCO4)s3)nc12
InChIInChI=1S/C16H15N3O2S2/c1-9-4-2-6-11-13(9)18-16(23-11)19-14(20)12-8-17-15(22-12)10-5-3-7-21-10/h2,4,6,8,10H,3,5,7H2,1H3,(H,18,19,20)/t10-/m1/s1
InChIKeyDEKNKPPJVUMCAO-SNVBAGLBSA-N
MW345.45 g/mol
LogP4.17
Rot. Bonds3

About N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide

N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 124514121) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID124514121
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cnc([C@H]4CCCO4)s3)nc12
InChIInChI=1S/C16H15N3O2S2/c1-9-4-2-6-11-13(9)18-16(23-11)19-14(20)12-8-17-15(22-12)10-5-3-7-21-10/h2,4,6,8,10H,3,5,7H2,1H3,(H,18,19,20)/t10-/m1/s1
InChIKeyDEKNKPPJVUMCAO-SNVBAGLBSA-N
XLogP4.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
N-(4-methyl-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 167869882
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[(2S)-oxolan-2-yl]-1,3-oxazole-4-carboxamide
CID 95351348
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537215
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide (CID 124514121) is N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide is Cc1cccc2sc(NC(=O)c3cnc([C@H]4CCCO4)s3)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is DEKNKPPJVUMCAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-9-4-2-6-11-13(9)18-16(23-11)19-14(20)12-8-17-15(22-12)10-5-3-7-21-10/h2,4,6,8,10H,3,5,7H2,1H3,(H,18,19,20)/t10-/m1/s1.
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124514121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).