2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C11H20N2S2 — CID 115653284

IUPAC2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CNCCSC(C)(C)C
InChIInChI=1S/C11H20N2S2/c1-9-10(14-8-13-9)7-12-5-6-15-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyBQVKJQARTKFOGC-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.07
Rot. Bonds5

About 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 115653284) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID115653284
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CNCCSC(C)(C)C
InChIInChI=1S/C11H20N2S2/c1-9-10(14-8-13-9)7-12-5-6-15-11(2,3)4/h8,12H,5-7H2,1-4H3
InChIKeyBQVKJQARTKFOGC-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropylsulfanyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115768977
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
2-tert-butylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115614481
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
N'-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylethane-1,2-diamine
CID 115671365
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
2-methoxy-3,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115667007
2-tert-butylsulfanyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684335

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 115653284) is 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncsc1CNCCSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is BQVKJQARTKFOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-9-10(14-8-13-9)7-12-5-6-15-11(2,3)4/h8,12H,5-7H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 244.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 115653284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).