4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine

C11H21N3S — CID 65484860

IUPAC4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCC(C)(C)N(C)CCc1csc(N)n1
InChIInChI=1S/C11H21N3S/c1-5-11(2,3)14(4)7-6-9-8-15-10(12)13-9/h8H,5-7H2,1-4H3,(H2,12,13)
InChIKeyRIPABCACDUQNDG-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.39
Rot. Bonds5

About 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65484860) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID65484860
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCC(C)(C)N(C)CCc1csc(N)n1
InChIInChI=1S/C11H21N3S/c1-5-11(2,3)14(4)7-6-9-8-15-10(12)13-9/h8H,5-7H2,1-4H3,(H2,12,13)
InChIKeyRIPABCACDUQNDG-UHFFFAOYSA-N
XLogP2.39
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189538
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65485637
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65482707
4-[2-[butan-2-yl(butyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483489
4-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484461
4-[2-[methyl(thiolan-3-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65482703
4-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65483096
4-[(dipropylamino)methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 72716242

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine (CID 65484860) is 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine is CCC(C)(C)N(C)CCc1csc(N)n1.
What is the InChIKey of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is RIPABCACDUQNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-11(2,3)14(4)7-6-9-8-15-10(12)13-9/h8H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65484860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).