N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

C17H25N5S — CID 124998331

IUPACN-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCNc1cnc(C[C@@H]2CCCN(Cc3scnc3C)CC2)cn1
InChIInChI=1S/C17H25N5S/c1-13-16(23-12-21-13)11-22-6-3-4-14(5-7-22)8-15-9-20-17(18-2)10-19-15/h9-10,12,14H,3-8,11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyRGVNCSYQXQTIGS-CQSZACIVSA-N
MW331.49 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (PubChem CID 124998331) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
PubChem CID124998331
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC NameN-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCNc1cnc(C[C@@H]2CCCN(Cc3scnc3C)CC2)cn1
InChIInChI=1S/C17H25N5S/c1-13-16(23-12-21-13)11-22-6-3-4-14(5-7-22)8-15-9-20-17(18-2)10-19-15/h9-10,12,14H,3-8,11H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyRGVNCSYQXQTIGS-CQSZACIVSA-N
XLogP3.13
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine with MolForge

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Related Compounds

N-methyl-5-[[(4R)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124994699
N-methyl-5-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 110112709
N-methyl-5-[[(4S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124944029
4-methyl-5-[[4-[[5-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099760
N-methyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056523
N-methyl-5-[(4-propan-2-ylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056527
4-methyl-5-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 131934362
N-methyl-5-[(4-propylpiperidin-1-yl)methyl]pyrazin-2-amine
CID 103056267
N-methyl-5-[[(4R)-1-propylsulfonylazepan-4-yl]methyl]pyrazin-2-amine
CID 124998489
2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124953767
5-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-methylpyrazin-2-amine
CID 106588865
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124961524

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (CID 124998331) is N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is CNc1cnc(C[C@@H]2CCCN(Cc3scnc3C)CC2)cn1.
What is the InChIKey of N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The InChIKey is RGVNCSYQXQTIGS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5S/c1-13-16(23-12-21-13)11-22-6-3-4-14(5-7-22)8-15-9-20-17(18-2)10-19-15/h9-10,12,14H,3-8,11H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine has a molecular weight of 331.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 124998331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).