N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H13N5OS — CID 166190095

IUPACN-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc4ncsc4c3)c2n1
InChIInChI=1S/C16H13N5OS/c1-9-5-10(2)21-15(19-9)12(7-18-21)16(22)20-11-3-4-13-14(6-11)23-8-17-13/h3-8H,1-2H3,(H,20,22)
InChIKeyKZFBMGVTDYGSGM-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.21
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166190095) has the molecular formula C16H13N5OS and a molecular weight of 323.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166190095
Molecular FormulaC16H13N5OS
Molecular Weight323.38 g/mol
Exact Mass323.08
IUPAC NameN-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc4ncsc4c3)c2n1
InChIInChI=1S/C16H13N5OS/c1-9-5-10(2)21-15(19-9)12(7-18-21)16(22)20-11-3-4-13-14(6-11)23-8-17-13/h3-8H,1-2H3,(H,20,22)
InChIKeyKZFBMGVTDYGSGM-UHFFFAOYSA-N
XLogP3.21
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166190095) is N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc4ncsc4c3)c2n1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KZFBMGVTDYGSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5OS/c1-9-5-10(2)21-15(19-9)12(7-18-21)16(22)20-11-3-4-13-14(6-11)23-8-17-13/h3-8H,1-2H3,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166190095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).