5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C12H21N3S — CID 71912730

IUPAC5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N(C)C)s1)CC1CCC1
InChIInChI=1S/C12H21N3S/c1-14(2)12-13-7-11(16-12)9-15(3)8-10-5-4-6-10/h7,10H,4-6,8-9H2,1-3H3
InChIKeyLRHGZJXBVSTXAV-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.44
Rot. Bonds5

About 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 71912730) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID71912730
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(Cc1cnc(N(C)C)s1)CC1CCC1
InChIInChI=1S/C12H21N3S/c1-14(2)12-13-7-11(16-12)9-15(3)8-10-5-4-6-10/h7,10H,4-6,8-9H2,1-3H3
InChIKeyLRHGZJXBVSTXAV-UHFFFAOYSA-N
XLogP2.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 71912730) is 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CN(Cc1cnc(N(C)C)s1)CC1CCC1.
What is the InChIKey of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LRHGZJXBVSTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-14(2)12-13-7-11(16-12)9-15(3)8-10-5-4-6-10/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 71912730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).