1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C22H26N2OS — CID 4036816

IUPAC1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C(C)(C)C)ccc2OCc2ccccc2)cs1
InChIInChI=1S/C22H26N2OS/c1-22(2,3)17-10-11-20(25-14-16-8-6-5-7-9-16)18(12-17)19-15-26-21(24-19)13-23-4/h5-12,15,23H,13-14H2,1-4H3
InChIKeyCAICSIFDPAOJSW-UHFFFAOYSA-N
MW366.53 g/mol
LogP5.41
Rot. Bonds6

About 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 4036816) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID4036816
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(C(C)(C)C)ccc2OCc2ccccc2)cs1
InChIInChI=1S/C22H26N2OS/c1-22(2,3)17-10-11-20(25-14-16-8-6-5-7-9-16)18(12-17)19-15-26-21(24-19)13-23-4/h5-12,15,23H,13-14H2,1-4H3
InChIKeyCAICSIFDPAOJSW-UHFFFAOYSA-N
XLogP5.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,5-dichloro-4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4242040
2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4536558
1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3561586
1-[4-(5-bromo-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3334152
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3570184
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4212091
3-[[4-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 142249318
1-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4009901
4-[[4-(2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127521
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 4036816) is 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(-c2cc(C(C)(C)C)ccc2OCc2ccccc2)cs1.
What is the InChIKey of 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is CAICSIFDPAOJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-22(2,3)17-10-11-20(25-14-16-8-6-5-7-9-16)18(12-17)19-15-26-21(24-19)13-23-4/h5-12,15,23H,13-14H2,1-4H3.
What are the key properties of 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 366.53 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-tert-butyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 4036816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).