N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide

C15H15N5O2S — CID 46959984

IUPACN,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)on1
InChIInChI=1S/C15H15N5O2S/c1-8-6-11(22-18-8)14(21)19(2)15-17-13-9-7-16-20(3)10(9)4-5-12(13)23-15/h6-7H,4-5H2,1-3H3
InChIKeyZRPIPGFIBWMLPD-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.22
Rot. Bonds2

About N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide

N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 46959984) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID46959984
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)on1
InChIInChI=1S/C15H15N5O2S/c1-8-6-11(22-18-8)14(21)19(2)15-17-13-9-7-16-20(3)10(9)4-5-12(13)23-15/h6-7H,4-5H2,1-3H3
InChIKeyZRPIPGFIBWMLPD-UHFFFAOYSA-N
XLogP2.22
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide (CID 46959984) is N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)c2nc3c(s2)CCc2c-3cnn2C)on1.
What is the InChIKey of N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZRPIPGFIBWMLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-8-6-11(22-18-8)14(21)19(2)15-17-13-9-7-16-20(3)10(9)4-5-12(13)23-15/h6-7H,4-5H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide?
N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46959984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).