4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine

C16H31N3S — CID 79480752

IUPAC4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCC(C)CN(CC)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C16H31N3S/c1-8-12(3)11-19(9-2)15-18-14(16(4,5)6)13(20-15)10-17-7/h12,17H,8-11H2,1-7H3
InChIKeyWVPFDJFSNLLPGE-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.03
Rot. Bonds7

About 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine

4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 79480752) has the molecular formula C16H31N3S and a molecular weight of 297.51 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
PubChem CID79480752
Molecular FormulaC16H31N3S
Molecular Weight297.51 g/mol
Exact Mass297.22
IUPAC Name4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
SMILESCCC(C)CN(CC)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C16H31N3S/c1-8-12(3)11-19(9-2)15-18-14(16(4,5)6)13(20-15)10-17-7/h12,17H,8-11H2,1-7H3
InChIKeyWVPFDJFSNLLPGE-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine (CID 79480752) is 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine is CCC(C)CN(CC)c1nc(C(C)(C)C)c(CNC)s1.
What is the InChIKey of 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is WVPFDJFSNLLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3S/c1-8-12(3)11-19(9-2)15-18-14(16(4,5)6)13(20-15)10-17-7/h12,17H,8-11H2,1-7H3.
What are the key properties of 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine?
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 297.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79480752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).