3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine

C13H18N4S — CID 164631293

IUPAC3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine
SMILESCc1csc([C@@H](C)CNc2nc(C)cnc2C)n1
InChIInChI=1S/C13H18N4S/c1-8(13-17-10(3)7-18-13)5-15-12-11(4)14-6-9(2)16-12/h6-8H,5H2,1-4H3,(H,15,16)/t8-/m0/s1
InChIKeyVZBHOJGVNNWUHW-QMMMGPOBSA-N
MW262.38 g/mol
LogP3.07
Rot. Bonds4

About 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine

3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine (PubChem CID 164631293) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine
PubChem CID164631293
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine
SMILESCc1csc([C@@H](C)CNc2nc(C)cnc2C)n1
InChIInChI=1S/C13H18N4S/c1-8(13-17-10(3)7-18-13)5-15-12-11(4)14-6-9(2)16-12/h6-8H,5H2,1-4H3,(H,15,16)/t8-/m0/s1
InChIKeyVZBHOJGVNNWUHW-QMMMGPOBSA-N
XLogP3.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine with MolForge

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Related Compounds

4-Methyl-2-[2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 53620824
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpyrazin-2-amine
CID 172438774
N-(4-methyl-2-thiazolyl)-2-pyrazinamine
CID 12036786
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 91651070
3-[[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]amino]pyrazine-2-carbonitrile
CID 96452632
2-[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-5-methyl-1,3-thiazole
CID 124296068
N-(4,4-difluorocyclohexyl)-3-methyl-5-(4-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
CID 139300510
6-chloro-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]pyrazin-2-amine
CID 71995798
5-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 128970845
5-[1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pyrazine-2-carbonitrile
CID 133484953
3-Fluoro-n-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 164657187
3-Fluoro-n-[2-(1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
CID 164657188

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine (CID 164631293) is 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine is Cc1csc([C@@H](C)CNc2nc(C)cnc2C)n1.
What is the InChIKey of 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine?
The InChIKey is VZBHOJGVNNWUHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8(13-17-10(3)7-18-13)5-15-12-11(4)14-6-9(2)16-12/h6-8H,5H2,1-4H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine?
3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 164631293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).