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

C11H12N4O4S2 — CID 136544549

IUPACN-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)c2cnn3c2OCCC3)s1
InChIInChI=1S/C11H12N4O4S2/c1-7-12-6-9(20-7)21(17,18)14-10(16)8-5-13-15-3-2-4-19-11(8)15/h5-6H,2-4H2,1H3,(H,14,16)
InChIKeyDNKGIGJPANURHC-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.55
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 136544549) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID136544549
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1ncc(S(=O)(=O)NC(=O)c2cnn3c2OCCC3)s1
InChIInChI=1S/C11H12N4O4S2/c1-7-12-6-9(20-7)21(17,18)14-10(16)8-5-13-15-3-2-4-19-11(8)15/h5-6H,2-4H2,1H3,(H,14,16)
InChIKeyDNKGIGJPANURHC-UHFFFAOYSA-N
XLogP0.55
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 136544549) is N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is Cc1ncc(S(=O)(=O)NC(=O)c2cnn3c2OCCC3)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is DNKGIGJPANURHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c1-7-12-6-9(20-7)21(17,18)14-10(16)8-5-13-15-3-2-4-19-11(8)15/h5-6H,2-4H2,1H3,(H,14,16).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 136544549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).