[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine

C11H21N3S — CID 82439357

IUPAC[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCN(C)Cc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C11H21N3S/c1-11(2,3)10-8(6-12)15-9(13-10)7-14(4)5/h6-7,12H2,1-5H3
InChIKeyRERRFMNZUOMRMP-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.96
Rot. Bonds3

About [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 82439357) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID82439357
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCN(C)Cc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C11H21N3S/c1-11(2,3)10-8(6-12)15-9(13-10)7-14(4)5/h6-7,12H2,1-5H3
InChIKeyRERRFMNZUOMRMP-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine (CID 82439357) is [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine is CN(C)Cc1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is RERRFMNZUOMRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-11(2,3)10-8(6-12)15-9(13-10)7-14(4)5/h6-7,12H2,1-5H3.
What are the key properties of [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 227.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82439357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).