N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

C14H15N5O2S — CID 136569635

IUPACN-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCn1nc2c(c1CNc1nnc(-c3cccs3)o1)COCC2
InChIInChI=1S/C14H15N5O2S/c1-19-11(9-8-20-5-4-10(9)18-19)7-15-14-17-16-13(21-14)12-3-2-6-22-12/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyVPPAPJYRJDCXCQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.22
Rot. Bonds4

About N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 136569635) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID136569635
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCn1nc2c(c1CNc1nnc(-c3cccs3)o1)COCC2
InChIInChI=1S/C14H15N5O2S/c1-19-11(9-8-20-5-4-10(9)18-19)7-15-14-17-16-13(21-14)12-3-2-6-22-12/h2-3,6H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyVPPAPJYRJDCXCQ-UHFFFAOYSA-N
XLogP2.22
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 136569635) is N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Cn1nc2c(c1CNc1nnc(-c3cccs3)o1)COCC2.
What is the InChIKey of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is VPPAPJYRJDCXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-19-11(9-8-20-5-4-10(9)18-19)7-15-14-17-16-13(21-14)12-3-2-6-22-12/h2-3,6H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 317.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 136569635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).