4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol

C14H18N2OS — CID 115091659

IUPAC4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol
SMILESCNCCCc1cnc(Cc2ccc(O)cc2)s1
InChIInChI=1S/C14H18N2OS/c1-15-8-2-3-13-10-16-14(18-13)9-11-4-6-12(17)7-5-11/h4-7,10,15,17H,2-3,8-9H2,1H3
InChIKeyGIYYJZJBDLRYOE-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.59
Rot. Bonds6

About 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol

4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol (PubChem CID 115091659) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol
PubChem CID115091659
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol
SMILESCNCCCc1cnc(Cc2ccc(O)cc2)s1
InChIInChI=1S/C14H18N2OS/c1-15-8-2-3-13-10-16-14(18-13)9-11-4-6-12(17)7-5-11/h4-7,10,15,17H,2-3,8-9H2,1H3
InChIKeyGIYYJZJBDLRYOE-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-5-yl]-N-methylethanamine
CID 115091633
N-methyl-3-(2-propyl-1,3-thiazol-5-yl)propan-1-amine
CID 115091707
N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091428
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090291
N-methyl-3-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115090865
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766700
4-[5-[3-(methylamino)propyl]-1,3-oxazol-2-yl]phenol
CID 137003028
N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091957
N-methyl-1-(5-pentyl-1,3-thiazol-2-yl)methanamine
CID 3249621
5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
CID 82422430
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol?
The IUPAC name of 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol (CID 115091659) is 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol?
The canonical SMILES for 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol is CNCCCc1cnc(Cc2ccc(O)cc2)s1.
What is the InChIKey of 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol?
The InChIKey is GIYYJZJBDLRYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-15-8-2-3-13-10-16-14(18-13)9-11-4-6-12(17)7-5-11/h4-7,10,15,17H,2-3,8-9H2,1H3.
What are the key properties of 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol?
4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol has a molecular weight of 262.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-(methylamino)propyl]-1,3-thiazol-2-yl]methyl]phenol is sourced from PubChem (CID 115091659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).