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

C16H22N2OS — CID 107921876

IUPAC3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCCCNCc1sc(-c2cccc(O)c2)nc1CCC
InChIInChI=1S/C16H22N2OS/c1-3-6-14-15(11-17-9-4-2)20-16(18-14)12-7-5-8-13(19)10-12/h5,7-8,10,17,19H,3-4,6,9,11H2,1-2H3
InChIKeyBZLTWZYACAWGMQ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.97
Rot. Bonds7

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

3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol (PubChem CID 107921876) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
PubChem CID107921876
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
SMILESCCCNCc1sc(-c2cccc(O)c2)nc1CCC
InChIInChI=1S/C16H22N2OS/c1-3-6-14-15(11-17-9-4-2)20-16(18-14)12-7-5-8-13(19)10-12/h5,7-8,10,17,19H,3-4,6,9,11H2,1-2H3
InChIKeyBZLTWZYACAWGMQ-UHFFFAOYSA-N
XLogP3.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.97
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

3-[4-(2-methylpropyl)-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921941
3-(5-ethyl-4-propyl-1,3-thiazol-2-yl)phenol
CID 28942305
N-[[2-(3,5-difluorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363996
N-[[2-(3-fluoro-5-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364081
N-[[2-(4-methylthiophen-3-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114363941
N-[[2-(2-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82431325
N-[[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431618
N-[[2-(4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82432649
N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270
N-[[2-(3-chlorophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364557
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015

Frequently Asked Questions

What is the IUPAC name of 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol (CID 107921876) is 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol is CCCNCc1sc(-c2cccc(O)c2)nc1CCC.
What is the InChIKey of 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is BZLTWZYACAWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-6-14-15(11-17-9-4-2)20-16(18-14)12-7-5-8-13(19)10-12/h5,7-8,10,17,19H,3-4,6,9,11H2,1-2H3.
What are the key properties of 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol?
3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 290.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 107921876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).