1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine

C14H24N2S — CID 113490154

IUPAC1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine
SMILESCc1csc(C(C)(CC2CCC2)NC(C)C)n1
InChIInChI=1S/C14H24N2S/c1-10(2)16-14(4,8-12-6-5-7-12)13-15-11(3)9-17-13/h9-10,12,16H,5-8H2,1-4H3
InChIKeyVSQFJDJUPOETRW-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.85
Rot. Bonds5

About 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine

1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine (PubChem CID 113490154) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine
PubChem CID113490154
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine
SMILESCc1csc(C(C)(CC2CCC2)NC(C)C)n1
InChIInChI=1S/C14H24N2S/c1-10(2)16-14(4,8-12-6-5-7-12)13-15-11(3)9-17-13/h9-10,12,16H,5-8H2,1-4H3
InChIKeyVSQFJDJUPOETRW-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine (CID 113490154) is 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine is Cc1csc(C(C)(CC2CCC2)NC(C)C)n1.
What is the InChIKey of 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine?
The InChIKey is VSQFJDJUPOETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)16-14(4,8-12-6-5-7-12)13-15-11(3)9-17-13/h9-10,12,16H,5-8H2,1-4H3.
What are the key properties of 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine?
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 113490154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).