N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H10ClN3O2S — CID 2814505

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H10ClN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18)
InChIKeyFEKIERSZUXSGNB-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.81
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 2814505) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID2814505
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H10ClN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18)
InChIKeyFEKIERSZUXSGNB-UHFFFAOYSA-N
XLogP3.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-4-isoxazolecarboxamide
CID 903511
N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649132
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2649211
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16276235
3-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 17417564
3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1292039
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2121103
3-ethyl-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8005554
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25161640
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 25163250
3-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 9142163
N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(2-methylpropyl)-1,2-oxazole-4-carboxamide
CID 24817803

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 2814505) is N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is FEKIERSZUXSGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-6-11(7(2)19-17-6)12(18)16-13-15-9-4-3-8(14)5-10(9)20-13/h3-5H,1-2H3,(H,15,16,18).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2814505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).