2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline

C12H14N2OS2 — CID 83002779

IUPAC2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline
SMILESCC(C)Oc1cc(Sc2nccs2)ccc1N
InChIInChI=1S/C12H14N2OS2/c1-8(2)15-11-7-9(3-4-10(11)13)17-12-14-5-6-16-12/h3-8H,13H2,1-2H3
InChIKeyDLMDNBXXMOVISK-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.66
Rot. Bonds4

About 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline

2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline (PubChem CID 83002779) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline
PubChem CID83002779
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline
SMILESCC(C)Oc1cc(Sc2nccs2)ccc1N
InChIInChI=1S/C12H14N2OS2/c1-8(2)15-11-7-9(3-4-10(11)13)17-12-14-5-6-16-12/h3-8H,13H2,1-2H3
InChIKeyDLMDNBXXMOVISK-UHFFFAOYSA-N
XLogP3.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline?
The IUPAC name of 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline (CID 83002779) is 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline?
The canonical SMILES for 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline is CC(C)Oc1cc(Sc2nccs2)ccc1N.
What is the InChIKey of 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline?
The InChIKey is DLMDNBXXMOVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8(2)15-11-7-9(3-4-10(11)13)17-12-14-5-6-16-12/h3-8H,13H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline?
2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline has a molecular weight of 266.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-4-(1,3-thiazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 83002779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).