N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide

C15H14N4O2S — CID 127267465

IUPACN-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2(c3nc4ccccc4s3)COC2)n1
InChIInChI=1S/C15H14N4O2S/c1-19-7-6-11(18-19)13(20)17-15(8-21-9-15)14-16-10-4-2-3-5-12(10)22-14/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyNXQKTKRTPZJMCF-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.69
Rot. Bonds3

About N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide

N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 127267465) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID127267465
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC2(c3nc4ccccc4s3)COC2)n1
InChIInChI=1S/C15H14N4O2S/c1-19-7-6-11(18-19)13(20)17-15(8-21-9-15)14-16-10-4-2-3-5-12(10)22-14/h2-7H,8-9H2,1H3,(H,17,20)
InChIKeyNXQKTKRTPZJMCF-UHFFFAOYSA-N
XLogP1.69
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide (CID 127267465) is N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC2(c3nc4ccccc4s3)COC2)n1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is NXQKTKRTPZJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-19-7-6-11(18-19)13(20)17-15(8-21-9-15)14-16-10-4-2-3-5-12(10)22-14/h2-7H,8-9H2,1H3,(H,17,20).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)oxetan-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 127267465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).