3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

C18H16ClN3O2S — CID 1292039

IUPAC3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H16ClN3O2S/c1-10-15(16(22-24-10)11-6-2-3-7-12(11)19)17(23)21-18-20-13-8-4-5-9-14(13)25-18/h2-3,6-7H,4-5,8-9H2,1H3,(H,20,21,23)
InChIKeyTVSQUWXEZAGGAK-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.89
Rot. Bonds3

About 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 1292039) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID1292039
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C18H16ClN3O2S/c1-10-15(16(22-24-10)11-6-2-3-7-12(11)19)17(23)21-18-20-13-8-4-5-9-14(13)25-18/h2-3,6-7H,4-5,8-9H2,1H3,(H,20,21,23)
InChIKeyTVSQUWXEZAGGAK-UHFFFAOYSA-N
XLogP4.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide (CID 1292039) is 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is TVSQUWXEZAGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-10-15(16(22-24-10)11-6-2-3-7-12(11)19)17(23)21-18-20-13-8-4-5-9-14(13)25-18/h2-3,6-7H,4-5,8-9H2,1H3,(H,20,21,23).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1292039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).