4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine

C13H25N3S — CID 62764685

IUPAC4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(C)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C13H25N3S/c1-7-8-16(6)12-15-11(13(2,3)4)10(17-12)9-14-5/h14H,7-9H2,1-6H3
InChIKeyOWHKZINWWTZBJW-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.01
Rot. Bonds5

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

4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 62764685) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID62764685
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(C)c1nc(C(C)(C)C)c(CNC)s1
InChIInChI=1S/C13H25N3S/c1-7-8-16(6)12-15-11(13(2,3)4)10(17-12)9-14-5/h14H,7-9H2,1-6H3
InChIKeyOWHKZINWWTZBJW-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55113145
4-tert-butyl-N-(2-methoxyethyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117474
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62767699
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62764849
N-butyl-4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62765870
4-tert-butyl-N-(1-methoxypropan-2-yl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117420
[4-tert-butyl-2-[butyl(methyl)amino]-1,3-thiazol-5-yl]methanol
CID 62779812
N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
CID 62764673
4-tert-butyl-N,N-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55113095
4-tert-butyl-5-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62768452
4-tert-butyl-N-ethyl-5-(methylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79480752
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine (CID 62764685) is 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is CCCN(C)c1nc(C(C)(C)C)c(CNC)s1.
What is the InChIKey of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is OWHKZINWWTZBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-7-8-16(6)12-15-11(13(2,3)4)10(17-12)9-14-5/h14H,7-9H2,1-6H3.
What are the key properties of 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine?
4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62764685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).