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

C10H11N5O2S — CID 71789346

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc3n(n2)CCCO3)s1
InChIInChI=1S/C10H11N5O2S/c1-6-12-13-10(18-6)11-9(16)7-5-8-15(14-7)3-2-4-17-8/h5H,2-4H2,1H3,(H,11,13,16)
InChIKeyFHOCOUHBJIRWGS-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.08
Rot. Bonds2

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789346) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789346
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc3n(n2)CCCO3)s1
InChIInChI=1S/C10H11N5O2S/c1-6-12-13-10(18-6)11-9(16)7-5-8-15(14-7)3-2-4-17-8/h5H,2-4H2,1H3,(H,11,13,16)
InChIKeyFHOCOUHBJIRWGS-UHFFFAOYSA-N
XLogP1.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789346) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is Cc1nnc(NC(=O)c2cc3n(n2)CCCO3)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is FHOCOUHBJIRWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-6-12-13-10(18-6)11-9(16)7-5-8-15(14-7)3-2-4-17-8/h5H,2-4H2,1H3,(H,11,13,16).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).