N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

C17H17N5OS — CID 56915464

IUPACN-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)Cc2nc3ccccc3s2)n2nccc2n1
InChIInChI=1S/C17H17N5OS/c1-21(10-16-20-13-5-3-4-6-14(13)24-16)17-9-12(11-23-2)19-15-7-8-18-22(15)17/h3-9H,10-11H2,1-2H3
InChIKeyZEWCPLSZTULLQH-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.12
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56915464) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56915464
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(N(C)Cc2nc3ccccc3s2)n2nccc2n1
InChIInChI=1S/C17H17N5OS/c1-21(10-16-20-13-5-3-4-6-14(13)24-16)17-9-12(11-23-2)19-15-7-8-18-22(15)17/h3-9H,10-11H2,1-2H3
InChIKeyZEWCPLSZTULLQH-UHFFFAOYSA-N
XLogP3.12
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56915464) is N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is COCc1cc(N(C)Cc2nc3ccccc3s2)n2nccc2n1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZEWCPLSZTULLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-21(10-16-20-13-5-3-4-6-14(13)24-16)17-9-12(11-23-2)19-15-7-8-18-22(15)17/h3-9H,10-11H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56915464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).