4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole

C13H17N5S — CID 133272186

IUPAC4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCCN(c3cnccn3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-11-10-19-13(16-11)18-6-2-5-17(7-8-18)12-9-14-3-4-15-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyRXBOJJHNXGAOGA-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.96
Rot. Bonds2

About 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole

4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole (PubChem CID 133272186) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole
PubChem CID133272186
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCCN(c3cnccn3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-11-10-19-13(16-11)18-6-2-5-17(7-8-18)12-9-14-3-4-15-12/h3-4,9-10H,2,5-8H2,1H3
InChIKeyRXBOJJHNXGAOGA-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 133298683
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
CID 68936225
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133335405
N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine
CID 86791560
2-[4-[(5-chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 47542412
4-methyl-N-[6-methyl-2-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125014641
2-methyl-3-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870262
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
4-methyl-2-[4-(3-nitro-2-pyridinyl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133272187
ethane;4-methyl-2-piperazin-1-yl-1,3-thiazole
CID 143994298

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole (CID 133272186) is 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole is Cc1csc(N2CCCN(c3cnccn3)CC2)n1.
What is the InChIKey of 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole?
The InChIKey is RXBOJJHNXGAOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-11-10-19-13(16-11)18-6-2-5-17(7-8-18)12-9-14-3-4-15-12/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole?
4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole has a molecular weight of 275.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole is sourced from PubChem (CID 133272186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).