N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

C16H22N2S — CID 63600035

IUPACN-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(C(C)(C)C)cc1)c1nccs1
InChIInChI=1S/C16H22N2S/c1-12(15-17-9-10-19-15)18-11-13-5-7-14(8-6-13)16(2,3)4/h5-10,12,18H,11H2,1-4H3
InChIKeyFNDGZJSROZSNFH-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.29
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63600035) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID63600035
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(C(C)(C)C)cc1)c1nccs1
InChIInChI=1S/C16H22N2S/c1-12(15-17-9-10-19-15)18-11-13-5-7-14(8-6-13)16(2,3)4/h5-10,12,18H,11H2,1-4H3
InChIKeyFNDGZJSROZSNFH-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-(pyridin-4-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366218
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
N-[(3,4-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599165
N-[(3,4-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599693
N-[(3-fluoro-4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63867557
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 114326972
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64990503
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 83235908
2-methoxy-5-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 63597926
(1R)-N-(pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 95366214
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63599696
N-[(3-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63612191

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 63600035) is N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1ccc(C(C)(C)C)cc1)c1nccs1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is FNDGZJSROZSNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(15-17-9-10-19-15)18-11-13-5-7-14(8-6-13)16(2,3)4/h5-10,12,18H,11H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63600035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).