5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine

C15H21N3OS — CID 120901906

IUPAC5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1CC(C)(C)NCc1cnc(N)s1
InChIInChI=1S/C15H21N3OS/c1-15(2,18-10-12-9-17-14(16)20-12)8-11-6-4-5-7-13(11)19-3/h4-7,9,18H,8,10H2,1-3H3,(H2,16,17)
InChIKeyFSHSGIVFORBDSJ-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.84
Rot. Bonds6

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

5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120901906) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID120901906
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine
SMILESCOc1ccccc1CC(C)(C)NCc1cnc(N)s1
InChIInChI=1S/C15H21N3OS/c1-15(2,18-10-12-9-17-14(16)20-12)8-11-6-4-5-7-13(11)19-3/h4-7,9,18H,8,10H2,1-3H3,(H2,16,17)
InChIKeyFSHSGIVFORBDSJ-UHFFFAOYSA-N
XLogP2.84
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
CID 79772599
3-(2-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65382377
5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761
1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 65017713
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 65486759
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461
2-amino-2-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54925372
5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901925
1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol
CID 113370181
2-N',2-N'-diethyl-1-(2-methoxyphenyl)propane-2,2-diamine
CID 84752665
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine (CID 120901906) is 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine is COc1ccccc1CC(C)(C)NCc1cnc(N)s1.
What is the InChIKey of 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is FSHSGIVFORBDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,18-10-12-9-17-14(16)20-12)8-11-6-4-5-7-13(11)19-3/h4-7,9,18H,8,10H2,1-3H3,(H2,16,17).
What are the key properties of 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine?
5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 291.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120901906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).