N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C18H18N4O2S — CID 167770344

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnn4c3OCCC4)n2)c(C)c1
InChIInChI=1S/C18H18N4O2S/c1-11-4-5-13(12(2)8-11)15-10-25-18(20-15)21-16(23)14-9-19-22-6-3-7-24-17(14)22/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21,23)
InChIKeySSELMYIRDNLWIJ-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.66
Rot. Bonds3

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 167770344) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID167770344
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnn4c3OCCC4)n2)c(C)c1
InChIInChI=1S/C18H18N4O2S/c1-11-4-5-13(12(2)8-11)15-10-25-18(20-15)21-16(23)14-9-19-22-6-3-7-24-17(14)22/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21,23)
InChIKeySSELMYIRDNLWIJ-UHFFFAOYSA-N
XLogP3.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537177
N-(4-methyl-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537215
7-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 75470195
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 16952106
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 167770344) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cnn4c3OCCC4)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is SSELMYIRDNLWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-11-4-5-13(12(2)8-11)15-10-25-18(20-15)21-16(23)14-9-19-22-6-3-7-24-17(14)22/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 167770344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).