5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine

C14H27N3S — CID 62753806

IUPAC5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCN(C)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C14H27N3S/c1-11(2)7-8-17(6)13-15-9-12(18-13)10-16-14(3,4)5/h9,11,16H,7-8,10H2,1-6H3
InChIKeyFXWAMRHOXUDNKL-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.51
Rot. Bonds6

About 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 62753806) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID62753806
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
SMILESCC(C)CCN(C)c1ncc(CNC(C)(C)C)s1
InChIInChI=1S/C14H27N3S/c1-11(2)7-8-17(6)13-15-9-12(18-13)10-16-14(3,4)5/h9,11,16H,7-8,10H2,1-6H3
InChIKeyFXWAMRHOXUDNKL-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine (CID 62753806) is 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is CC(C)CCN(C)c1ncc(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is FXWAMRHOXUDNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-11(2)7-8-17(6)13-15-9-12(18-13)10-16-14(3,4)5/h9,11,16H,7-8,10H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 269.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).