N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine

C12H16N4S — CID 82425407

IUPACN-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cnc(-c2cnccn2)s1
InChIInChI=1S/C12H16N4S/c1-3-9(2)15-6-10-7-16-12(17-10)11-8-13-4-5-14-11/h4-5,7-9,15H,3,6H2,1-2H3
InChIKeyZEVNKYVCQAGYDX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.49
Rot. Bonds5

About N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine

N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine (PubChem CID 82425407) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
PubChem CID82425407
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cnc(-c2cnccn2)s1
InChIInChI=1S/C12H16N4S/c1-3-9(2)15-6-10-7-16-12(17-10)11-8-13-4-5-14-11/h4-5,7-9,15H,3,6H2,1-2H3
InChIKeyZEVNKYVCQAGYDX-UHFFFAOYSA-N
XLogP2.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
N-[(4-tert-butyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 82439750
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
N-[[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82422506
(1S)-1-cyclobutyl-1-phenyl-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 97055475
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82424643
N-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butan-2-amine
CID 106678195
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 55070550
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 102555105

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The IUPAC name of N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine (CID 82425407) is N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine is CCC(C)NCc1cnc(-c2cnccn2)s1.
What is the InChIKey of N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
The InChIKey is ZEVNKYVCQAGYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-9(2)15-6-10-7-16-12(17-10)11-8-13-4-5-14-11/h4-5,7-9,15H,3,6H2,1-2H3.
What are the key properties of N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine?
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine has a molecular weight of 248.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 82425407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).