N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C13H24N2S2 — CID 65138358

IUPACN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(CSC(C)(C)C)s1
InChIInChI=1S/C13H24N2S2/c1-12(2,3)15-8-10-7-14-11(17-10)9-16-13(4,5)6/h7,15H,8-9H2,1-6H3
InChIKeyLJTQKNVSWORHFL-UHFFFAOYSA-N
MW272.48 g/mol
LogP4.06
Rot. Bonds4

About N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65138358) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID65138358
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC NameN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(CSC(C)(C)C)s1
InChIInChI=1S/C13H24N2S2/c1-12(2,3)15-8-10-7-14-11(17-10)9-16-13(4,5)6/h7,15H,8-9H2,1-6H3
InChIKeyLJTQKNVSWORHFL-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65138412
N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 66083649
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 62404630
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylbut-3-yn-2-amine
CID 63998554
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-methoxy-2-methylpropan-2-amine
CID 115684330
2-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197995
2-methyl-N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65412814
methyl 2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylpropanoate
CID 60983148

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 65138358) is N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(CSC(C)(C)C)s1.
What is the InChIKey of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is LJTQKNVSWORHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-12(2,3)15-8-10-7-14-11(17-10)9-16-13(4,5)6/h7,15H,8-9H2,1-6H3.
What are the key properties of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 272.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65138358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).