5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine

C17H23N3O2S — CID 120899271

IUPAC5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cnc(N)s2)CC2CCCO2)c1
InChIInChI=1S/C17H23N3O2S/c1-21-14-5-2-4-13(8-14)10-20(11-15-6-3-7-22-15)12-16-9-19-17(18)23-16/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H2,18,19)
InChIKeyHYQHAJKOPBCHGQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.92
Rot. Bonds7

About 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine

5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120899271) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120899271
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(CN(Cc2cnc(N)s2)CC2CCCO2)c1
InChIInChI=1S/C17H23N3O2S/c1-21-14-5-2-4-13(8-14)10-20(11-15-6-3-7-22-15)12-16-9-19-17(18)23-16/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H2,18,19)
InChIKeyHYQHAJKOPBCHGQ-UHFFFAOYSA-N
XLogP2.92
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818496
5-[[(2,4-dimethoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962834
5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962866
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
1-[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]pentan-2-ol
CID 24713843
N-[(3-methoxyphenyl)methyl]-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 75387976
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
CID 87894906
(2R)-1-[(3-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 129423214
bis(4-methoxyphenyl)-[5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46017764
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine (CID 120899271) is 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine is COc1cccc(CN(Cc2cnc(N)s2)CC2CCCO2)c1.
What is the InChIKey of 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is HYQHAJKOPBCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-21-14-5-2-4-13(8-14)10-20(11-15-6-3-7-22-15)12-16-9-19-17(18)23-16/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H2,18,19).
What are the key properties of 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 333.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120899271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).