N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine

C14H23F3N2S — CID 104860317

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)CC(F)(F)F
InChIInChI=1S/C14H23F3N2S/c1-8(7-14(15,16)17)18-9(2)11-10(3)19-12(20-11)13(4,5)6/h8-9,18H,7H2,1-6H3
InChIKeyIFPGSBVIDGDAQV-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.74
Rot. Bonds4

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 104860317) has the molecular formula C14H23F3N2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine
PubChem CID104860317
Molecular FormulaC14H23F3N2S
Molecular Weight308.41 g/mol
Exact Mass308.15
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)CC(F)(F)F
InChIInChI=1S/C14H23F3N2S/c1-8(7-14(15,16)17)18-9(2)11-10(3)19-12(20-11)13(4,5)6/h8-9,18H,7H2,1-6H3
InChIKeyIFPGSBVIDGDAQV-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
CID 43769276
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61475019
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine
CID 61468852
(2S)-N-[(1R)-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 97321988
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43783015
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271625
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine
CID 82711538
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43767328
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115713038

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine (CID 104860317) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine is Cc1nc(C(C)(C)C)sc1C(C)NC(C)CC(F)(F)F.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is IFPGSBVIDGDAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2S/c1-8(7-14(15,16)17)18-9(2)11-10(3)19-12(20-11)13(4,5)6/h8-9,18H,7H2,1-6H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 308.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 104860317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).