2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine

C16H28N2S — CID 79817611

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2S/c1-5-17-13-9-7-6-8-12(13)10-15-18-14(11-19-15)16(2,3)4/h11-13,17H,5-10H2,1-4H3
InChIKeyMSOVIHAZVOCITM-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.15
Rot. Bonds4

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine

2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine (PubChem CID 79817611) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine
PubChem CID79817611
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2S/c1-5-17-13-9-7-6-8-12(13)10-15-18-14(11-19-15)16(2,3)4/h11-13,17H,5-10H2,1-4H3
InChIKeyMSOVIHAZVOCITM-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
CID 79816559
[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopentyl]methanamine
CID 81010240
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 83196388
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 114451769
2-[(4-bromooxan-3-yl)methyl]-4-tert-butyl-1,3-thiazole
CID 106471592
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
CID 115882106
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105015912
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 79032529
1-[2-(aminomethyl)cyclohexyl]-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 116584612
N-ethyl-2-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 55207614
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 79016300
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine (CID 79817611) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine?
The InChIKey is MSOVIHAZVOCITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-17-13-9-7-6-8-12(13)10-15-18-14(11-19-15)16(2,3)4/h11-13,17H,5-10H2,1-4H3.
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine?
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 79817611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).