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

C20H30N2O2S — CID 5182552

IUPAC2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1cc(C(C)(C)C)c(OCC)cc1-c1csc(CCNC)n1
InChIInChI=1S/C20H30N2O2S/c1-7-23-17-12-15(20(3,4)5)18(24-8-2)11-14(17)16-13-25-19(22-16)9-10-21-6/h11-13,21H,7-10H2,1-6H3
InChIKeyOXJLMRHICFLJBE-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.67
Rot. Bonds8

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

2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 5182552) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID5182552
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC Name2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1cc(C(C)(C)C)c(OCC)cc1-c1csc(CCNC)n1
InChIInChI=1S/C20H30N2O2S/c1-7-23-17-12-15(20(3,4)5)18(24-8-2)11-14(17)16-13-25-19(22-16)9-10-21-6/h11-13,21H,7-10H2,1-6H3
InChIKeyOXJLMRHICFLJBE-UHFFFAOYSA-N
XLogP4.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3570184
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3404523
2-[4-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4030252
1-[4-(5-tert-butyl-2,3-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3561586
2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4536558
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
3-(4-tert-butyl-2,5-diethoxyphenyl)-1,2-oxazol-5-amine
CID 3814351
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
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82966778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 5182552) is 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CCOc1cc(C(C)(C)C)c(OCC)cc1-c1csc(CCNC)n1.
What is the InChIKey of 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is OXJLMRHICFLJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-7-23-17-12-15(20(3,4)5)18(24-8-2)11-14(17)16-13-25-19(22-16)9-10-21-6/h11-13,21H,7-10H2,1-6H3.
What are the key properties of 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 362.54 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 5182552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).