1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine

C18H32N2S — CID 105015912

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)CC1CCCCC1
InChIInChI=1S/C18H32N2S/c1-5-19-15(11-14-9-7-6-8-10-14)12-17-20-16(13-21-17)18(2,3)4/h13-15,19H,5-12H2,1-4H3
InChIKeySRDVDUFMNKXGTP-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.93
Rot. Bonds6

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine (PubChem CID 105015912) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
PubChem CID105015912
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine
SMILESCCNC(Cc1nc(C(C)(C)C)cs1)CC1CCCCC1
InChIInChI=1S/C18H32N2S/c1-5-19-15(11-14-9-7-6-8-10-14)12-17-20-16(13-21-17)18(2,3)4/h13-15,19H,5-12H2,1-4H3
InChIKeySRDVDUFMNKXGTP-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cycloheptyl-N-methylpropan-2-amine
CID 105015894
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
CID 103169196
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954263
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105016097
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105325005
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 105015897
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 79817385
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213765
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105015850

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine (CID 105015912) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine is CCNC(Cc1nc(C(C)(C)C)cs1)CC1CCCCC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine?
The InChIKey is SRDVDUFMNKXGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-19-15(11-14-9-7-6-8-10-14)12-17-20-16(13-21-17)18(2,3)4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine has a molecular weight of 308.53 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclohexyl-N-ethylpropan-2-amine is sourced from PubChem (CID 105015912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).