2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C21H24N2OS — CID 4536558

IUPAC2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(C)c(C)cc2OCc2ccccc2)cs1
InChIInChI=1S/C21H24N2OS/c1-15-11-18(19-14-25-21(23-19)9-10-22-3)20(12-16(15)2)24-13-17-7-5-4-6-8-17/h4-8,11-12,14,22H,9-10,13H2,1-3H3
InChIKeyZPYWJPPFKDAOMW-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.77
Rot. Bonds7

About 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 4536558) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID4536558
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(C)c(C)cc2OCc2ccccc2)cs1
InChIInChI=1S/C21H24N2OS/c1-15-11-18(19-14-25-21(23-19)9-10-22-3)20(12-16(15)2)24-13-17-7-5-4-6-8-17/h4-8,11-12,14,22H,9-10,13H2,1-3H3
InChIKeyZPYWJPPFKDAOMW-UHFFFAOYSA-N
XLogP4.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4036816
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
1-[4-(2,5-dichloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4242040
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5182552
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
2-[4-[2,4-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-yl]acetic acid
CID 5128355
2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82496673
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 62543895
1-[4-(5-bromo-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3334152
2-(bromomethyl)-4-(2-methoxy-4,5-dimethylphenyl)-1,3-thiazole
CID 116970291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 4536558) is 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2cc(C)c(C)cc2OCc2ccccc2)cs1.
What is the InChIKey of 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is ZPYWJPPFKDAOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-15-11-18(19-14-25-21(23-19)9-10-22-3)20(12-16(15)2)24-13-17-7-5-4-6-8-17/h4-8,11-12,14,22H,9-10,13H2,1-3H3.
What are the key properties of 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 352.50 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 4536558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).