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

C14H26N2S — CID 43756395

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C14H26N2S/c1-8-9(2)15-10(3)12-11(4)16-13(17-12)14(5,6)7/h9-10,15H,8H2,1-7H3
InChIKeyCVORXGBHXKKBHM-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.20
Rot. Bonds4

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

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine (PubChem CID 43756395) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
PubChem CID43756395
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
SMILESCCC(C)NC(C)c1sc(C(C)(C)C)nc1C
InChIInChI=1S/C14H26N2S/c1-8-9(2)15-10(3)12-11(4)16-13(17-12)14(5,6)7/h9-10,15H,8H2,1-7H3
InChIKeyCVORXGBHXKKBHM-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.20
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]-2-methylpentan-3-amine
CID 61468852
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860317
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]-6-methylheptan-2-amine
CID 43769276
(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
N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 115705663
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271625
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
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]-N',N'-diethylpropane-1,3-diamine
CID 43763215
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
CID 60865573
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43783015

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine (CID 43756395) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine is CCC(C)NC(C)c1sc(C(C)(C)C)nc1C.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine?
The InChIKey is CVORXGBHXKKBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-8-9(2)15-10(3)12-11(4)16-13(17-12)14(5,6)7/h9-10,15H,8H2,1-7H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine has a molecular weight of 254.44 g/mol, XLogP of 4.20, 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]butan-2-amine is sourced from PubChem (CID 43756395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).