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

C13H22N2S — CID 115894995

IUPAC1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1ncc(CCNC(C)CC2CCC2)s1
InChIInChI=1S/C13H22N2S/c1-10(8-12-4-3-5-12)14-7-6-13-9-15-11(2)16-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyWAZLIPRKCIZORJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.16
Rot. Bonds6

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

1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (PubChem CID 115894995) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
PubChem CID115894995
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCc1ncc(CCNC(C)CC2CCC2)s1
InChIInChI=1S/C13H22N2S/c1-10(8-12-4-3-5-12)14-7-6-13-9-15-11(2)16-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyWAZLIPRKCIZORJ-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (CID 115894995) is 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is Cc1ncc(CCNC(C)CC2CCC2)s1.
What is the InChIKey of 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is WAZLIPRKCIZORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(8-12-4-3-5-12)14-7-6-13-9-15-11(2)16-13/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 238.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115894995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).