(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine

C19H22N4S — CID 97089159

IUPAC(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
SMILESC[C@H](NCc1cnc(C2CCC2)s1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H22N4S/c1-14(17-8-2-3-9-18(17)23-11-5-10-22-23)20-12-16-13-21-19(24-16)15-6-4-7-15/h2-3,5,8-11,13-15,20H,4,6-7,12H2,1H3/t14-/m0/s1
InChIKeyXXCINKABCYJGMA-AWEZNQCLSA-N
MW338.48 g/mol
LogP4.45
Rot. Bonds6

About (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine

(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine (PubChem CID 97089159) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
PubChem CID97089159
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
SMILESC[C@H](NCc1cnc(C2CCC2)s1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H22N4S/c1-14(17-8-2-3-9-18(17)23-11-5-10-22-23)20-12-16-13-21-19(24-16)15-6-4-7-15/h2-3,5,8-11,13-15,20H,4,6-7,12H2,1H3/t14-/m0/s1
InChIKeyXXCINKABCYJGMA-AWEZNQCLSA-N
XLogP4.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine (CID 97089159) is (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine is C[C@H](NCc1cnc(C2CCC2)s1)c1ccccc1-n1cccn1.
What is the InChIKey of (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is XXCINKABCYJGMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4S/c1-14(17-8-2-3-9-18(17)23-11-5-10-22-23)20-12-16-13-21-19(24-16)15-6-4-7-15/h2-3,5,8-11,13-15,20H,4,6-7,12H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine?
(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 338.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 97089159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).