4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine

C18H15N5OS2 — CID 10293215

IUPAC4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCc1onc(SCc2nccs2)c1-c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H15N5OS2/c1-12-16(17(23-24-12)26-11-15-19-9-10-25-15)14-7-8-20-18(22-14)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyKSJSBAFHHVJEAG-UHFFFAOYSA-N
MW381.49 g/mol
LogP4.93
Rot. Bonds6

About 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine

4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine (PubChem CID 10293215) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine
PubChem CID10293215
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC Name4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine
SMILESCc1onc(SCc2nccs2)c1-c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C18H15N5OS2/c1-12-16(17(23-24-12)26-11-15-19-9-10-25-15)14-7-8-20-18(22-14)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyKSJSBAFHHVJEAG-UHFFFAOYSA-N
XLogP4.93
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine (CID 10293215) is 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine is Cc1onc(SCc2nccs2)c1-c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is KSJSBAFHHVJEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-12-16(17(23-24-12)26-11-15-19-9-10-25-15)14-7-8-20-18(22-14)21-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine?
4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 381.49 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(1,3-thiazol-2-ylmethylsulfanyl)-1,2-oxazol-4-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 10293215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).