N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine

C11H18N2S — CID 64984724

IUPACN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C11H18N2S/c1-8(2)12-6-10-7-13-11(14-10)9-4-3-5-9/h7-9,12H,3-6H2,1-2H3
InChIKeyCIRJEDYLZATXCA-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine

N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 64984724) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID64984724
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2CCC2)s1
InChIInChI=1S/C11H18N2S/c1-8(2)12-6-10-7-13-11(14-10)9-4-3-5-9/h7-9,12H,3-6H2,1-2H3
InChIKeyCIRJEDYLZATXCA-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 64984724) is N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1cnc(C2CCC2)s1.
What is the InChIKey of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is CIRJEDYLZATXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8(2)12-6-10-7-13-11(14-10)9-4-3-5-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 210.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 64984724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).