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

C14H26N2S2 — CID 82438789

IUPACN-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(CSC)nc1C(C)(C)C
InChIInChI=1S/C14H26N2S2/c1-7-10(2)15-8-11-13(14(3,4)5)16-12(18-11)9-17-6/h10,15H,7-9H2,1-6H3
InChIKeyOKPJNQRRYWREPP-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.19
Rot. Bonds6

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

N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine (PubChem CID 82438789) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
PubChem CID82438789
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC NameN-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1sc(CSC)nc1C(C)(C)C
InChIInChI=1S/C14H26N2S2/c1-7-10(2)15-8-11-13(14(3,4)5)16-12(18-11)9-17-6/h10,15H,7-9H2,1-6H3
InChIKeyOKPJNQRRYWREPP-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-2-(methoxymethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82439313
N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82438785
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82438798
N-[[4-tert-butyl-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362510
N-[(2-butyl-4-tert-butyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 114363063
N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82439750
N-[[2-(methylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434348
N-[[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82426385
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82428480
N-[[4-propyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82432156
N-[[4-(2-methylpropyl)-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368777
N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362625

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The IUPAC name of N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine (CID 82438789) is N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine is CCC(C)NCc1sc(CSC)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
The InChIKey is OKPJNQRRYWREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-7-10(2)15-8-11-13(14(3,4)5)16-12(18-11)9-17-6/h10,15H,7-9H2,1-6H3.
What are the key properties of N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine?
N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine has a molecular weight of 286.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine is sourced from PubChem (CID 82438789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).