1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

C15H19N3S — CID 115768471

IUPAC1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCC(NCc1csc(-c2ccccn2)n1)C1CCC1
InChIInChI=1S/C15H19N3S/c1-11(12-5-4-6-12)17-9-13-10-19-15(18-13)14-7-2-3-8-16-14/h2-3,7-8,10-12,17H,4-6,9H2,1H3
InChIKeyUFXKHKDTCLBEAF-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.48
Rot. Bonds5

About 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 115768471) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID115768471
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCC(NCc1csc(-c2ccccn2)n1)C1CCC1
InChIInChI=1S/C15H19N3S/c1-11(12-5-4-6-12)17-9-13-10-19-15(18-13)14-7-2-3-8-16-14/h2-3,7-8,10-12,17H,4-6,9H2,1H3
InChIKeyUFXKHKDTCLBEAF-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pent-4-en-2-amine
CID 115633197
6-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]heptan-2-amine
CID 43234312
1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598448
1-(furan-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234418
3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 115749394
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 115768471) is 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is CC(NCc1csc(-c2ccccn2)n1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is UFXKHKDTCLBEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(12-5-4-6-12)17-9-13-10-19-15(18-13)14-7-2-3-8-16-14/h2-3,7-8,10-12,17H,4-6,9H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115768471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).