[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine

C16H22N2S — CID 39373614

IUPAC[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1sc(CN)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-5-13-15(18-14(10-17)19-13)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10,17H2,1-4H3
InChIKeyCWSBVMSKRVARGW-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.13
Rot. Bonds3

About [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine

[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine (PubChem CID 39373614) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
PubChem CID39373614
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1sc(CN)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N2S/c1-5-13-15(18-14(10-17)19-13)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10,17H2,1-4H3
InChIKeyCWSBVMSKRVARGW-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709653
2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82069366
4-[[5-ethyl-4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163872
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163870
2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82069519
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
(4,5-diethyl-1,3-thiazol-2-yl)methanamine
CID 105434611
[4-(4-fluorophenyl)-5-(pyridin-4-ylmethyl)-1,3-thiazol-2-yl]methanamine
CID 82106468
[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131867614
5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine
CID 62226559
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine (CID 39373614) is [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine is CCc1sc(CN)nc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is CWSBVMSKRVARGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-13-15(18-14(10-17)19-13)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10,17H2,1-4H3.
What are the key properties of [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine?
[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 39373614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).