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

C13H24N2S — CID 61332734

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
SMILESCCCC(C)(NC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-7-8-13(5,14-6)11-15-10(9-16-11)12(2,3)4/h9,14H,7-8H2,1-6H3
InChIKeyWMPLWALTFBCMFQ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.68
Rot. Bonds4

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine (PubChem CID 61332734) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
PubChem CID61332734
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
SMILESCCCC(C)(NC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2S/c1-7-8-13(5,14-6)11-15-10(9-16-11)12(2,3)4/h9,14H,7-8H2,1-6H3
InChIKeyWMPLWALTFBCMFQ-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832562
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-fluorophenyl)-N-methylpropan-2-amine
CID 114832560
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
CID 80558537
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
CID 114868550
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-methoxy-N-propan-2-ylpropan-2-amine
CID 62534931
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
CID 61332465
2-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylpentan-2-amine
CID 61333805
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
CID 62634123

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine (CID 61332734) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine is CCCC(C)(NC)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine?
The InChIKey is WMPLWALTFBCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-7-8-13(5,14-6)11-15-10(9-16-11)12(2,3)4/h9,14H,7-8H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.68, 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)-N-methylpentan-2-amine is sourced from PubChem (CID 61332734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).