5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine

C14H17N3OS — CID 103383818

IUPAC5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCC1OCCC1Nc1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-9-11(7-8-18-9)16-14-12(13(15)17-19-14)10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H2,15,17)
InChIKeyYAORMZHYSRXVNB-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.98
Rot. Bonds3

About 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine

5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103383818) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103383818
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCC1OCCC1Nc1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-9-11(7-8-18-9)16-14-12(13(15)17-19-14)10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H2,15,17)
InChIKeyYAORMZHYSRXVNB-UHFFFAOYSA-N
XLogP2.98
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine (CID 103383818) is 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine is CC1OCCC1Nc1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is YAORMZHYSRXVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-11(7-8-18-9)16-14-12(13(15)17-19-14)10-5-3-2-4-6-10/h2-6,9,11,16H,7-8H2,1H3,(H2,15,17).
What are the key properties of 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 275.38 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103383818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).