4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol

C13H16N2OS — CID 136987769

IUPAC4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol
SMILESCNC(C)Cc1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2OS/c1-9(14-2)7-11-8-17-13(15-11)10-3-5-12(16)6-4-10/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyKTWKCHTVVSPKCP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.67
Rot. Bonds4

About 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol

4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol (PubChem CID 136987769) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol
PubChem CID136987769
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol
SMILESCNC(C)Cc1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H16N2OS/c1-9(14-2)7-11-8-17-13(15-11)10-3-5-12(16)6-4-10/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyKTWKCHTVVSPKCP-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(aminomethyl)-1,3-thiazol-2-yl]phenol
CID 135741995
1-[5-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868535
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-hydroxybenzoate
CID 7866808
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
N-methyl-1-[2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl]propan-2-amine
CID 115089214
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868218
2-[[1-carboxy-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]amino]-4-methylpentanoic acid
CID 23572948
N-cyclohexyl-2-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 135734499
4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 104854722

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol (CID 136987769) is 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol is CNC(C)Cc1csc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol?
The InChIKey is KTWKCHTVVSPKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(14-2)7-11-8-17-13(15-11)10-3-5-12(16)6-4-10/h3-6,8-9,14,16H,7H2,1-2H3.
What are the key properties of 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol?
4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol has a molecular weight of 248.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methylamino)propyl]-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136987769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).