N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C16H15N5OS — CID 72844013

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N(C)Cc2nc3ccccc3s2)c2nc(C)oc2n1
InChIInChI=1S/C16H15N5OS/c1-9-17-15(14-16(18-9)22-10(2)19-14)21(3)8-13-20-11-6-4-5-7-12(11)23-13/h4-7H,8H2,1-3H3
InChIKeyYPVKTSDVMIZTJL-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.48
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 72844013) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID72844013
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N(C)Cc2nc3ccccc3s2)c2nc(C)oc2n1
InChIInChI=1S/C16H15N5OS/c1-9-17-15(14-16(18-9)22-10(2)19-14)21(3)8-13-20-11-6-4-5-7-12(11)23-13/h4-7H,8H2,1-3H3
InChIKeyYPVKTSDVMIZTJL-UHFFFAOYSA-N
XLogP3.48
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.48
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)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 72844013) is N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1nc(N(C)Cc2nc3ccccc3s2)c2nc(C)oc2n1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is YPVKTSDVMIZTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-9-17-15(14-16(18-9)22-10(2)19-14)21(3)8-13-20-11-6-4-5-7-12(11)23-13/h4-7H,8H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N-(1,3-benzothiazol-2-ylmethyl)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 325.40 g/mol, XLogP of 3.48, 3 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)-N,2,5-trimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 72844013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).