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

C14H16N4O2S — CID 90536712

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H16N4O2S/c19-13(10-8-12-18(17-10)6-3-7-20-12)16-14-15-9-4-1-2-5-11(9)21-14/h8H,1-7H2,(H,15,16,19)
InChIKeyFNVARUCVRJBVJU-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.25
Rot. Bonds2

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

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536712) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536712
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)CCCO2
InChIInChI=1S/C14H16N4O2S/c19-13(10-8-12-18(17-10)6-3-7-20-12)16-14-15-9-4-1-2-5-11(9)21-14/h8H,1-7H2,(H,15,16,19)
InChIKeyFNVARUCVRJBVJU-UHFFFAOYSA-N
XLogP2.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 128553213
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257
2,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 16952691
5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 107241316
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587212
5-(methylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104640589
4-bromo-2-hydroxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 63526621
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 2482039
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536712) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is FNVARUCVRJBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c19-13(10-8-12-18(17-10)6-3-7-20-12)16-14-15-9-4-1-2-5-11(9)21-14/h8H,1-7H2,(H,15,16,19).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).