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

C13H24N2S2 — CID 65138412

IUPACN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CSC(C)(C)C)s1
InChIInChI=1S/C13H24N2S2/c1-10(2)6-14-7-11-8-15-12(17-11)9-16-13(3,4)5/h8,10,14H,6-7,9H2,1-5H3
InChIKeyBOMXZUKTELLUID-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.92
Rot. Bonds6

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

N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65138412) 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-1-amine.

Molecular Properties

Compound NameN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65138412
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC NameN-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CSC(C)(C)C)s1
InChIInChI=1S/C13H24N2S2/c1-10(2)6-14-7-11-8-15-12(17-11)9-16-13(3,4)5/h8,10,14H,6-7,9H2,1-5H3
InChIKeyBOMXZUKTELLUID-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.92
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-2-amine
CID 65138358
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82424642
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
2-methyl-N-[[2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402711
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404978
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
2-methyl-N-[[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82425017
N-[[2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82423991

Frequently Asked Questions

What is the IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65138412) is N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(CSC(C)(C)C)s1.
What is the InChIKey of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is BOMXZUKTELLUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-10(2)6-14-7-11-8-15-12(17-11)9-16-13(3,4)5/h8,10,14H,6-7,9H2,1-5H3.
What are the key properties of N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.92, 6 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-1-amine is sourced from PubChem (CID 65138412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).