(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine

C19H20N4S — CID 97055475

IUPAC(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESc1ccc([C@@H](NCc2cnc(-c3cnccn3)s2)C2CCC2)cc1
InChIInChI=1S/C19H20N4S/c1-2-5-14(6-3-1)18(15-7-4-8-15)22-11-16-12-23-19(24-16)17-13-20-9-10-21-17/h1-3,5-6,9-10,12-13,15,18,22H,4,7-8,11H2/t18-/m1/s1
InChIKeyWQKHEHUCANKAQF-GOSISDBHSA-N
MW336.46 g/mol
LogP4.23
Rot. Bonds6

About (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine

(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 97055475) has the molecular formula C19H20N4S and a molecular weight of 336.46 g/mol. Its IUPAC name is (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID97055475
Molecular FormulaC19H20N4S
Molecular Weight336.46 g/mol
Exact Mass336.14
IUPAC Name(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESc1ccc([C@@H](NCc2cnc(-c3cnccn3)s2)C2CCC2)cc1
InChIInChI=1S/C19H20N4S/c1-2-5-14(6-3-1)18(15-7-4-8-15)22-11-16-12-23-19(24-16)17-13-20-9-10-21-17/h1-3,5-6,9-10,12-13,15,18,22H,4,7-8,11H2/t18-/m1/s1
InChIKeyWQKHEHUCANKAQF-GOSISDBHSA-N
XLogP4.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
CID 54883334
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82425407
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 102555105
(2S,3R)-3-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 97021393
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
CID 43786897
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645
(1R)-2-[[(S)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258708
(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258709
(1S)-1-cyclobutyl-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 95598748
(1R)-1-[(2R)-oxolan-2-yl]-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 95177763

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine (CID 97055475) is (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine is c1ccc([C@@H](NCc2cnc(-c3cnccn3)s2)C2CCC2)cc1.
What is the InChIKey of (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is WQKHEHUCANKAQF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20N4S/c1-2-5-14(6-3-1)18(15-7-4-8-15)22-11-16-12-23-19(24-16)17-13-20-9-10-21-17/h1-3,5-6,9-10,12-13,15,18,22H,4,7-8,11H2/t18-/m1/s1.
What are the key properties of (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine?
(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 336.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 97055475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).