2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol

C14H18N2OS — CID 59073559

IUPAC2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol
SMILESCc1cc(C(C)CNc2nccs2)cc(C)c1O
InChIInChI=1S/C14H18N2OS/c1-9-6-12(7-10(2)13(9)17)11(3)8-16-14-15-4-5-18-14/h4-7,11,17H,8H2,1-3H3,(H,15,16)
InChIKeyYMBIMFVEMVMOMJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.68
Rot. Bonds4

About 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol

2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol (PubChem CID 59073559) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol
PubChem CID59073559
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol
SMILESCc1cc(C(C)CNc2nccs2)cc(C)c1O
InChIInChI=1S/C14H18N2OS/c1-9-6-12(7-10(2)13(9)17)11(3)8-16-14-15-4-5-18-14/h4-7,11,17H,8H2,1-3H3,(H,15,16)
InChIKeyYMBIMFVEMVMOMJ-UHFFFAOYSA-N
XLogP3.68
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
N-(2-cyclopropylpropyl)-1,3-thiazol-2-amine
CID 115591460
3-ethyl-1-N-(1,3-thiazol-2-yl)pentane-1,2-diamine
CID 106287080
N-(2-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-amine
CID 112727052
N-butan-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110693984
N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
2-hydroxy-3-(1,3-thiazol-2-ylamino)propanamide
CID 106170836
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
CID 107706770

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol?
The IUPAC name of 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol (CID 59073559) is 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol is Cc1cc(C(C)CNc2nccs2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol?
The InChIKey is YMBIMFVEMVMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-6-12(7-10(2)13(9)17)11(3)8-16-14-15-4-5-18-14/h4-7,11,17H,8H2,1-3H3,(H,15,16).
What are the key properties of 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol?
2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol has a molecular weight of 262.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-(1,3-thiazol-2-ylamino)propan-2-yl]phenol is sourced from PubChem (CID 59073559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).