N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

C18H16N4OS — CID 18460206

IUPACN-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H16N4OS/c1-2-13-10-14-16(19-11-12-6-4-3-5-7-12)21-17(22-18(14)24-13)15-8-9-20-23-15/h3-10H,2,11H2,1H3,(H,19,21,22)
InChIKeyXKZAQUDAWFNQPM-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.52
Rot. Bonds5

About N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine

N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460206) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460206
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H16N4OS/c1-2-13-10-14-16(19-11-12-6-4-3-5-7-12)21-17(22-18(14)24-13)15-8-9-20-23-15/h3-10H,2,11H2,1H3,(H,19,21,22)
InChIKeyXKZAQUDAWFNQPM-UHFFFAOYSA-N
XLogP4.52
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine (CID 18460206) is N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1.
What is the InChIKey of N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XKZAQUDAWFNQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-2-13-10-14-16(19-11-12-6-4-3-5-7-12)21-17(22-18(14)24-13)15-8-9-20-23-15/h3-10H,2,11H2,1H3,(H,19,21,22).
What are the key properties of N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine?
N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethyl-2-(1,2-oxazol-5-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).