N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine

C14H18N2OS — CID 82538616

IUPACN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)Oc1ccccc1CNc1nccs1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)17-12-7-5-4-6-11(12)10-16-13-15-8-9-18-13/h4-9H,10H2,1-3H3,(H,15,16)
InChIKeyWCFBJKGMZOCQTJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.93
Rot. Bonds4

About N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine

N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 82538616) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID82538616
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)Oc1ccccc1CNc1nccs1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)17-12-7-5-4-6-11(12)10-16-13-15-8-9-18-13/h4-9H,10H2,1-3H3,(H,15,16)
InChIKeyWCFBJKGMZOCQTJ-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine (CID 82538616) is N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine is CC(C)(C)Oc1ccccc1CNc1nccs1.
What is the InChIKey of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is WCFBJKGMZOCQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,3)17-12-7-5-4-6-11(12)10-16-13-15-8-9-18-13/h4-9H,10H2,1-3H3,(H,15,16).
What are the key properties of N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine?
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82538616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).