3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol

C14H14N2OS2 — CID 123509674

IUPAC3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol
SMILESCC1SC(Nc2cccc(O)c2)=NC1c1cccs1
InChIInChI=1S/C14H14N2OS2/c1-9-13(12-6-3-7-18-12)16-14(19-9)15-10-4-2-5-11(17)8-10/h2-9,13,17H,1H3,(H,15,16)
InChIKeySIKDXHXCJCHKAR-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.10
Rot. Bonds2

About 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol

3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol (PubChem CID 123509674) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol.

Molecular Properties

Compound Name3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol
PubChem CID123509674
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol
SMILESCC1SC(Nc2cccc(O)c2)=NC1c1cccs1
InChIInChI=1S/C14H14N2OS2/c1-9-13(12-6-3-7-18-12)16-14(19-9)15-10-4-2-5-11(17)8-10/h2-9,13,17H,1H3,(H,15,16)
InChIKeySIKDXHXCJCHKAR-UHFFFAOYSA-N
XLogP4.10
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol?
The IUPAC name of 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol (CID 123509674) is 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol.
What is the SMILES notation for 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol?
The canonical SMILES for 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol is CC1SC(Nc2cccc(O)c2)=NC1c1cccs1.
What is the InChIKey of 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol?
The InChIKey is SIKDXHXCJCHKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-9-13(12-6-3-7-18-12)16-14(19-9)15-10-4-2-5-11(17)8-10/h2-9,13,17H,1H3,(H,15,16).
What are the key properties of 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol?
3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol has a molecular weight of 290.41 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-4-thiophen-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenol is sourced from PubChem (CID 123509674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).