5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine

C10H19N3S — CID 79771576

IUPAC5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)CCN(C)Cc1cnc(N)s1
InChIInChI=1S/C10H19N3S/c1-8(2)4-5-13(3)7-9-6-12-10(11)14-9/h6,8H,4-5,7H2,1-3H3,(H2,11,12)
InChIKeyFBALKJZZVBZBPD-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.20
Rot. Bonds5

About 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine

5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79771576) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID79771576
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)CCN(C)Cc1cnc(N)s1
InChIInChI=1S/C10H19N3S/c1-8(2)4-5-13(3)7-9-6-12-10(11)14-9/h6,8H,4-5,7H2,1-3H3,(H2,11,12)
InChIKeyFBALKJZZVBZBPD-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine (CID 79771576) is 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine is CC(C)CCN(C)Cc1cnc(N)s1.
What is the InChIKey of 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is FBALKJZZVBZBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)4-5-13(3)7-9-6-12-10(11)14-9/h6,8H,4-5,7H2,1-3H3,(H2,11,12).
What are the key properties of 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(3-methylbutyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).