3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol

C14H17FN2OS — CID 136889731

IUPAC3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
SMILESCc1nc(-c2ccc(O)cc2F)sc1CNC(C)C
InChIInChI=1S/C14H17FN2OS/c1-8(2)16-7-13-9(3)17-14(19-13)11-5-4-10(18)6-12(11)15/h4-6,8,16,18H,7H2,1-3H3
InChIKeyAQPJFUNBYNTHEY-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.46
Rot. Bonds4

About 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol

3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol (PubChem CID 136889731) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
PubChem CID136889731
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
SMILESCc1nc(-c2ccc(O)cc2F)sc1CNC(C)C
InChIInChI=1S/C14H17FN2OS/c1-8(2)16-7-13-9(3)17-14(19-13)11-5-4-10(18)6-12(11)15/h4-6,8,16,18H,7H2,1-3H3
InChIKeyAQPJFUNBYNTHEY-UHFFFAOYSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-fluoro-5-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107932011
4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889727
N-[[4-methyl-2-(3,4,5-trifluorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62403042
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
4-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-3-fluorophenol
CID 136889740
N-[[2-(4-bromo-2-fluorophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114907163
N-[[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114895360
N-[[4-methyl-2-(4-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63839460
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841708
N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62403385
4-[4-propan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol
CID 136889307
2-[2-(2-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154491

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol (CID 136889731) is 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol is Cc1nc(-c2ccc(O)cc2F)sc1CNC(C)C.
What is the InChIKey of 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol?
The InChIKey is AQPJFUNBYNTHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-8(2)16-7-13-9(3)17-14(19-13)11-5-4-10(18)6-12(11)15/h4-6,8,16,18H,7H2,1-3H3.
What are the key properties of 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol?
3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol has a molecular weight of 280.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136889731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).