N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

C15H26N2S — CID 114364609

IUPACN-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(C2CCC2)sc1CNC(C)(C)C
InChIInChI=1S/C15H26N2S/c1-5-7-12-13(10-16-15(2,3)4)18-14(17-12)11-8-6-9-11/h11,16H,5-10H2,1-4H3
InChIKeyXFTCSVMBMFRYSG-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.25
Rot. Bonds5

About N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 114364609) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID114364609
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(C2CCC2)sc1CNC(C)(C)C
InChIInChI=1S/C15H26N2S/c1-5-7-12-13(10-16-15(2,3)4)18-14(17-12)11-8-6-9-11/h11,16H,5-10H2,1-4H3
InChIKeyXFTCSVMBMFRYSG-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (CID 114364609) is N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is CCCc1nc(C2CCC2)sc1CNC(C)(C)C.
What is the InChIKey of N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is XFTCSVMBMFRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-5-7-12-13(10-16-15(2,3)4)18-14(17-12)11-8-6-9-11/h11,16H,5-10H2,1-4H3.
What are the key properties of N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 266.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114364609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).